Sample records for transportation model greet

Argonne National Laboratory has developed a vehicle-cycle module for the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model. The fuel-cycle GREETmodel has been cited extensively and contains data on fuel cycles and vehicle operations. The vehicle-cycle model evaluates the energy and emission effects associated with vehicle material recovery and production, vehicle component fabrication, vehicle assembly, and vehicle disposal/recycling. With the addition of the vehicle-cycle module, the GREETmodel now provides a comprehensive, lifecycle-based approach to compare the energy use and emissions of conventional and advanced vehicle technologies (e.g., hybrid electric vehicles and fuel cell vehicles). This report details the development and application of the GREET 2.7 model. The current model includes six vehicles--a conventional material and a lightweight material version of a mid-size passenger car with the following powertrain systems: internal combustion engine, internal combustion engine with hybrid configuration, and fuel cell with hybrid configuration. The model calculates the energy use and emissions that are required for vehicle component production; battery production; fluid production and use; and vehicle assembly, disposal, and recycling. This report also presents vehicle-cycle modeling results. In order to put these results in a broad perspective, the fuel-cycle model (GREET 1.7) was used in conjunction with the vehicle-cycle model (GREET 2.7) to estimate total energy-cycle results.

This report documents the development and use of the most recent version (Version 1.5) of the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The model, developed in a spreadsheet format, estimates the full fuel-cycle emissions and energy associated with various transportation fuels and advanced vehicle technologies for light-duty vehicles. The model calculates fuel-cycle emissions of five criteria pollutants (volatile organic compounds, carbon monoxide, nitrogen oxides, particulate matter with diameters of 10 micrometers or less, and sulfur oxides) and three greenhouse gases (carbon dioxide, methane, and nitrous oxide). The model also calculates total energy consumption, fossil fuel consumption, and petroleum consumption when various transportation fuels are used. The GREETmodel includes the following cycles: petroleum to conventional gasoline, reformulated gasoline, conventional diesel, reformulated diesel, liquefied petroleum gas, and electricity via residual oil; natural gas to compressed natural gas, liquefied natural gas, liquefied petroleum gas, methanol, Fischer-Tropsch diesel, dimethyl ether, hydrogen, and electricity; coal to electricity; uranium to electricity; renewable energy (hydropower, solar energy, and wind) to electricity; corn, woody biomass, and herbaceous biomass to ethanol; soybeans to biodiesel; flared gas to methanol, dimethyl ether, and Fischer-Tropsch diesel; and landfill gases to methanol. This report also presents the results of the analysis of fuel-cycle energy use and emissions associated with alternative transportation fuels and advanced vehicle technologies to be applied to passenger cars and light-duty trucks.

This report documents the development and use of the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The model, developed in a spreadsheet format, estimates the full fuel-cycle emissions and energy use associated with various transportation fuels for light-duty vehicles. The model calculates fuel-cycle emissions of five criteria pollutants (volatile organic compounds, Co, NOx, SOx, and particulate matter measuring 10 microns or less) and three greenhouse gases (carbon dioxide, methane, and nitrous oxide). The model also calculates the total fuel-cycle energy consumption, fossil fuel consumption, and petroleum consumption using various transportation fuels. The GREETmodel includes 17 fuel cycles: petroleum to conventional gasoline, reformulated gasoline, clean diesel, liquefied petroleum gas, and electricity via residual oil; natural gas to compressed natural gas, liquefied petroleum gas, methanol, hydrogen, and electricity; coal to electricity; uranium to electricity; renewable energy (hydropower, solar energy, and wind) to electricity; corn, woody biomass, and herbaceous biomass to ethanol; and landfill gases to methanol. This report presents fuel-cycle energy use and emissions for a 2000 model-year car powered by each of the fuels that are produced from the primary energy sources considered in the study.

This report documents the development and use of the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The model, developed in a spreadsheet format, estimates the full fuel- cycle emissions and energy use associated with various transportation fuels for light-duty vehicles. The model calculates fuel-cycle emissions of five criteria pollutants (volatile organic compounds, carbon monoxide, nitrogen oxides, sulfur oxides, and particulate matter measuring 10 microns or less) and three greenhouse gases (carbon dioxide, methane, and nitrous oxide). The model also calculates the total fuel-cycle energy consumption, fossil fuel consumption, and petroleum consumption using various transportation fuels. The GREETmodel includes 17 fuel cycles: petroleum to conventional gasoline, reformulated gasoline, clean diesel, liquefied petroleum gas, and electricity via residual oil; natural gas to compressed natural gas, liquefied petroleum gas, methanol, hydrogen, and electricity; coal to electricity; uranium to electricity; renewable energy (hydrogen, solar energy, and wind) to electricity; corn, woody biomass, and herbaceous biomass to ethanol; and landfill gases to methanol. This report presents fuel-cycle energy use and emissions for a 2000 model-year car powered by each of the fuels that are produced from the primary energy sources considered in the study.

To fully evaluate energy and emission impacts of advanced vehicle technologies and new transportation fuels, the fuel cycle from wells to wheels and the vehicle cycle through material recovery and vehicle disposal need to be considered. Sponsored by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE), Argonne has developed a full life-cycle model called GREET (Greenhouse gases, Regulated Emissions, and Energy use in Transportation). It allows researchers and analysts to evaluate various vehicle and fuel combinations on a full fuel-cycle/vehicle-cycle basis. The first version of GREET was released in 1996. Since then, Argonne has continued to update and expand the model. The most recent GREET versions are the GREET 1 2012 version for fuel-cycle analysis and GREET 2.7 version for vehicle-cycle analysis.

To fully evaluate energy and emission impacts of advanced vehicle technologies and new transportation fuels, the fuel cycle from wells to wheels and the vehicle cycle through material recovery and vehicle disposal need to be considered. Sponsored by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE), Argonne has developed a full life-cycle model called GREET (Greenhouse gases, Regulated Emissions, and Energy use in Transportation). It allows researchers and analysts to evaluate various vehicle and fuel combinations on a full fuel-cycle/vehicle-cycle basis. The first version of GREET was released in 1996. Since then, Argonne has continued to update and expand the model. The most recent GREET versions are the GREET 1 2012 version for fuel-cycle analysis and GREET 2.7 version for vehicle-cycle analysis.

A wide range of biofuels and biochemicals can be produced from biomass via different pretreatment technologies that yield sugars. This report documents the material and energy flows that occur when fermentable sugars from four lignocellulosic feedstocks (corn stover, miscanthus, switchgrass, and poplar) are produced via dilute acid pretreatment and ammonia fiber expansion. These flows are documented for inclusion in the pretreatment module of the Greenhouses Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. Process simulations of each pretreatment technology were developed in Aspen Plus. Material and energy consumption data from Aspen Plus were then compiled in the GREET pretreatment module. The module estimates the cradle-to-gate fossil energy consumption (FEC) and greenhouse gas (GHG) emissions associated with producing fermentable sugars. This report documents the data and methodology used to develop this module and the cradle-to-gate FEC and GHG emissions that result from producing fermentable sugars.

The pyrolysis of biomass can help produce liquid transportation fuels with properties similar to those of petroleum gasoline and diesel fuel. Argonne National Laboratory conducted a life-cycle (i.e., well-to-wheels [WTW]) analysis of various pyrolysis pathways by expanding and employing the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The WTW energy use and greenhouse gas (GHG) emissions from the pyrolysis pathways were compared with those from the baseline petroleum gasoline and diesel pathways. Various pyrolysis pathway scenarios with a wide variety of possible hydrogen sources, liquid fuel yields, and co-product application and treatment methods were considered. At one extreme, when hydrogen is produced from natural gas and when bio-char is used for process energy needs, the pyrolysis-based liquid fuel yield is high (32% of the dry mass of biomass input). The reductions in WTW fossil energy use and GHG emissions relative to those that occur when baseline petroleum fuels are used, however, is modest, at 50% and 51%, respectively, on a per unit of fuel energy basis. At the other extreme, when hydrogen is produced internally via reforming of pyrolysis oil and when bio-char is sequestered in soil applications, the pyrolysis-based liquid fuel yield is low (15% of the dry mass of biomass input), but the reductions in WTW fossil energy use and GHG emissions are large, at 79% and 96%, respectively, relative to those that occur when baseline petroleum fuels are used. The petroleum energy use in all scenarios was restricted to biomass collection and transportation activities, which resulted in a reduction in WTW petroleum energy use of 92-95% relative to that found when baseline petroleum fuels are used. Internal hydrogen production (i.e., via reforming of pyrolysis oil) significantly reduces fossil fuel use and GHG emissions because the hydrogen from fuel gas or pyrolysis oil (renewable sources) displaces that from fossil fuel natural gas and the amount of fossil natural gas used for hydrogen production is reduced; however, internal hydrogen production also reduces the potential petroleum energy savings (per unit of biomass input basis) because the fuel yield declines dramatically. Typically, a process that has a greater liquid fuel yield results in larger petroleum savings per unit of biomass input but a smaller reduction in life-cycle GHG emissions. Sequestration of the large amount of bio-char co-product (e.g., in soil applications) provides a significant carbon dioxide credit, while electricity generation from bio-char combustion provides a large energy credit. The WTW energy and GHG emissions benefits observed when a pyrolysis oil refinery was integrated with a pyrolysis reactor were small when compared with those that occur when pyrolysis oil is distributed to a distant refinery, since the activities associated with transporting the oil between the pyrolysis reactors and refineries have a smaller energy and emissions footprint than do other activities in the pyrolysis pathway.

Today, approximately 300 million standard cubic ft/day (mmscfd) of natural gas and 1600 MW of electricity are produced from the decomposition of organic waste at 519 U.S. landfills (EPA 2010a). Since landfill gas (LFG) is a renewable resource, this energy is considered renewable. When used as a vehicle fuel, compressed natural gas (CNG) produced from LFG consumes up to 185,000 Btu of fossil fuel and generates from 1.5 to 18.4 kg of carbon dioxide-equivalent (CO{sub 2}e) emissions per million Btu of fuel on a 'well-to-wheel' (WTW) basis. This compares with approximately 1.1 million Btu and 78.2 kg of CO{sub 2}e per million Btu for CNG from fossil natural gas and 1.2 million Btu and 97.5 kg of CO{sub 2}e per million Btu for petroleum gasoline. Because of the additional energy required for liquefaction, LFG-based liquefied natural gas (LNG) requires more fossil fuel (222,000-227,000 Btu/million Btu WTW) and generates more GHG emissions (approximately 22 kg CO{sub 2}e /MM Btu WTW) if grid electricity is used for the liquefaction process. However, if some of the LFG is used to generate electricity for gas cleanup and liquefaction (or compression, in the case of CNG), vehicle fuel produced from LFG can have no fossil fuel input and only minimal GHG emissions (1.5-7.7 kg CO{sub 2}e /MM Btu) on a WTW basis. Thus, LFG-based natural gas can be one of the lowest GHG-emitting fuels for light- or heavy-duty vehicles. This report discusses the size and scope of biomethane resources from landfills and the pathways by which those resources can be turned into and utilized as vehicle fuel. It includes characterizations of the LFG stream and the processes used to convert low-Btu LFG into high-Btu renewable natural gas (RNG); documents the conversion efficiencies and losses of those processes, the choice of processes modeled in GREET, and other assumptions used to construct GREET pathways; and presents GREET results by pathway stage. GREET estimates of well-to-pump (WTP), pump-to-wheel (PTW), and WTW energy, fossil fuel, and GHG emissions for each LFG-based pathway are then summarized and compared with similar estimates for fossil natural gas and petroleum pathways.

In 2009, manure management accounted for 2,356 Gg or 107 billion standard cubic ft of methane (CH{sub 4}) emissions in the United States, equivalent to 0.5% of U.S. natural gas (NG) consumption. Owing to the high global warming potential of methane, capturing and utilizing this methane source could reduce greenhouse gas (GHG) emissions. The extent of that reduction depends on several factors - most notably, how much of this manure-based methane can be captured, how much GHG is produced in the course of converting it to vehicular fuel, and how much GHG was produced by the fossil fuel it might displace. A life-cycle analysis was conducted to quantify these factors and, in so doing, assess the impact of converting methane from animal manure into renewable NG (RNG) and utilizing the gas in vehicles. Several manure-based RNG pathways were characterized in the GREET (Greenhouse gases, Regulated Emissions, and Energy use in Transportation) model, and their fuel-cycle energy use and GHG emissions were compared to petroleum-based pathways as well as to conventional fossil NG pathways. Results show that despite increased total energy use, both fossil fuel use and GHG emissions decline for most RNG pathways as compared with fossil NG and petroleum. However, GHG emissions for RNG pathways are highly dependent on the specifics of the reference case, as well as on the process energy emissions and methane conversion factors assumed for the RNG pathways. The most critical factors are the share of flared controllable CH{sub 4} and the quantity of CH{sub 4} lost during NG extraction in the reference case, the magnitude of N{sub 2}O lost in the anaerobic digestion (AD) process and in AD residue, and the amount of carbon sequestered in AD residue. In many cases, data for these parameters are limited and uncertain. Therefore, more research is needed to gain a better understanding of the range and magnitude of environmental benefits from converting animal manure to RNG via AD.

The Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model, developed at Argonne National Laboratory, has been expanded to include well-to-wake (WTWa) analysis of aviation fuels and aircraft. This report documents the key WTWa stages and assumptions for fuels that represent alternatives to petroleum jet fuel. The aviation module in GREET consists of three spreadsheets that present detailed characterizations of well-to-pump and pump-to-wake parameters and WTWa results. By using the expanded GREET version (GREET1{_}2011), we estimate WTWa results for energy use (total, fossil, and petroleum energy) and greenhouse gas (GHG) emissions (carbon dioxide, methane, and nitrous oxide) for (1) each unit of energy (lower heating value) consumed by the aircraft or (2) each unit of distance traveled/ payload carried by the aircraft. The fuel pathways considered in this analysis include petroleum-based jet fuel from conventional and unconventional sources (i.e., oil sands); Fisher-Tropsch (FT) jet fuel from natural gas, coal, and biomass; bio-jet fuel from fast pyrolysis of cellulosic biomass; and bio-jet fuel from vegetable and algal oils, which falls under the American Society for Testing and Materials category of hydroprocessed esters and fatty acids. For aircraft operation, we considered six passenger aircraft classes and four freight aircraft classes in this analysis. Our analysis revealed that, depending on the feedstock source, the fuel conversion technology, and the allocation or displacement credit methodology applied to co-products, alternative bio-jet fuel pathways have the potential to reduce life-cycle GHG emissions by 55-85 percent compared with conventional (petroleum-based) jet fuel. Although producing FT jet fuel from fossil feedstock sources - such as natural gas and coal - could greatly reduce dependence on crude oil, production from such sources (especially coal) produces greater WTWa GHG emissions compared with petroleum jet fuel production unless carbon management practices, such as carbon capture and storage, are used.

The Role of Biomass in America's Energy Future (RBAEF) is a multi-institution, multiple-sponsor research project. The primary focus of the project is to analyze and assess the potential of transportation fuels derived from cellulosic biomass in the years 2015 to 2030. For this project, researchers at Dartmouth College and Princeton University designed and simulated an advanced fermentation process to produce fuel ethanol/protein, a thermochemical process to produce Fischer-Tropsch diesel (FTD) and dimethyl ether (DME), and a combined heat and power plant to co-produce steam and electricity using the ASPEN Plus{trademark} model. With support from the U.S. Department of Energy (DOE), Argonne National Laboratory (ANL) conducted, for the RBAEF project, a mobility chains or well-to-wheels (WTW) analysis using the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model developed at ANL. The mobility chains analysis was intended to estimate the energy consumption and emissions associated with the use of different production biofuels in light-duty vehicle technologies.

, the transportmodel that takes into account both nucleon-nucleon collisions and the nuclear mean-field po- tential (normally called the Ulasov-Uehling-Uhlenbeck or Boltzmann-Uehling-Uhlenbeck model [3]) have been ex- tended to include the pion degree... equation, the pion collision term is obtained from the imaginary part of its self-energy. In nuclear medium, the pion self-energy is modified by the strong p-wave pion- nucleon interaction. This not only afFects the production and absorption of the pion...

Assistant Vice President, Corporate & Foundation Relations Inside this issue... Greetings to Industry. The founding members are American Axle and Manufacturing, Eaton Corpora- tion and John Deere. This applied

The purpose of the saturated zone (SZ) flow and transportmodel abstraction task is to provide radionuclide-transport simulation results for use in the total system performance assessment (TSPA) for license application (LA) calculations. This task includes assessment of uncertainty in parameters that pertain to both groundwater flow and radionuclide transport in the models used for this purpose. This model report documents the following: (1) The SZ transport abstraction model, which consists of a set of radionuclide breakthrough curves at the accessible environment for use in the TSPA-LA simulations of radionuclide releases into the biosphere. These radionuclide breakthrough curves contain information on radionuclide-transport times through the SZ. (2) The SZ one-dimensional (I-D) transportmodel, which is incorporated in the TSPA-LA model to simulate the transport, decay, and ingrowth of radionuclide decay chains in the SZ. (3) The analysis of uncertainty in groundwater-flow and radionuclide-transport input parameters for the SZ transport abstraction model and the SZ 1-D transportmodel. (4) The analysis of the background concentration of alpha-emitting species in the groundwater of the SZ.

The purpose of this model report is to document the unsaturated zone (UZ) radionuclide transportmodel, which evaluates, by means of three-dimensional numerical models, the transport of radioactive solutes and colloids in the UZ, under ambient conditions, from the repository horizon to the water table at Yucca Mountain, Nevada.

To study heavy ion collisions at energies available from the Relativistic Heavy Ion Collider (RHIC), we have developed a multiphase transportmodel that includes both initial partonic and final hadronic interactions. Specifically, the Zhang's parton...

To study heavy ion collisions at energies available from the Relativistic Heavy Ion Collider (RHIC), we have developed a multiphase transportmodel that includes both initial partonic and final hadronic interactions. Specifically, the Zhang's parton...

The potential impacts associated with the transportation of hazardous materials are important issues to shippers, carriers, and the general public. Since transportation routes are a central characteristic in most of these issues, the prediction of likely routes is the first step toward the resolution of these issues. In addition, US Department of Transportation requirements (HM-164) mandate specific routes for shipments of highway controlled quantities of radioactive materials. In response to these needs, two routing models have been developed at Oak Ridge National Laboratory under the sponsorship of the U.S. Department of Energy (DOE). These models have been designated by DOE`s Office of Environmental Restoration and Waste Management, Transportation Management Division (DOE/EM) as the official DOE routing models. Both models, HIGHWAY and INTERLINE, are described.

The purpose of Revision 00 of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada.

Transportation contributes to a significant and rising share of global energy use and GHG emissions. Therefore modeling future travel demand, its fuel use, and resulting CO2 emission is highly relevant for climate change mitigation. In this study we compare the baseline projections for global service demand (passenger-kilometers, ton-kilometers), fuel use, and CO2 emissions of five different global transportmodels using harmonized input assumptions on income and population. For four models we also evaluate the impact of a carbon tax. All models project a steep increase in service demand over the century. Technology is important for limiting energy consumption and CO2 emissions, but quite radical changes in the technology mix are required to stabilize or reverse the trend. While all models project liquid fossil fuels dominating up to 2050, they differ regarding the use of alternative fuels (natural gas, hydrogen, biofuels, and electricity), because of different fuel price projections. The carbon tax of US$200/tCO2 in 2050 stabilizes or reverses global emission growth in all models. Besides common findings many differences in the model assumptions and projections indicate room for improvement in modeling and empirical description of the transport system.

The authors propose a scheme for the assessment of regional mucus transport using inhaled Tc-99m aerosol particles and quantitative analysis of serial gamma-camera images. The model treats input to inner and intermediate lung regions as the total of initial deposition there plus subsequent transport into these regions from more peripheral airways. It allows for interregional differences in the proportion of particles deposited on the mucus-bearing conducting airways, and does not require a gamma image 24 hr after particle inhalation. Instead, distribution of particles reaching the respiratory bronchioles or alveoli is determined from a Kr-81m ventilation image, while the total amount of such deposition is obtained from 24-hr Tc-99m retention measured with a sensitive counter system. The model is applicable to transport by mucociliary action or by cough, and has been tested in ten normal and ten asthmatic subjects.

Butanol produced from bio-sources (such as corn) could have attractive properties as a transportation fuel. Production of butanol through a fermentation process called acetone-butanol-ethanol (ABE) has been the focus of increasing research and development efforts. Advances in ABE process development in recent years have led to drastic increases in ABE productivity and yields, making butanol production worthy of evaluation for use in motor vehicles. Consequently, chemical/fuel industries have announced their intention to produce butanol from bio-based materials. The purpose of this study is to estimate the potential life-cycle energy and emission effects associated with using bio-butanol as a transportation fuel. The study employs a well-to-wheels analysis tool--the Greenhouse Gases, Regulated Emissions and Energy Use in Transportation (GREET) model developed at Argonne National Laboratory--and the Aspen Plus{reg_sign} model developed by AspenTech. The study describes the butanol production from corn, including grain processing, fermentation, gas stripping, distillation, and adsorption for products separation. The Aspen{reg_sign} results that we obtained for the corn-to-butanol production process provide the basis for GREETmodeling to estimate life-cycle energy use and greenhouse gas emissions. The GREETmodel was expanded to simulate the bio-butanol life cycle, from agricultural chemical production to butanol use in motor vehicles. We then compared the results for bio-butanol with those of conventional gasoline. We also analyzed the bio-acetone that is coproduced with bio-butanol as an alternative to petroleum-based acetone. Our study shows that, while the use of corn-based butanol achieves energy benefits and reduces greenhouse gas emissions, the results are affected by the methods used to treat the acetone that is co-produced in butanol plants.

We analyze the mesoscale structure of aeolian sand transport, based on a recently developed two-species continuum model. The calculated sand flux and important average characteristics of the grain trajectories are found to be in remarkable agreement with field and wind-tunnel data. We conclude that the essential mesoscale physics is insensitive to unresolved details on smaller scales and well captured by the coarse-grained analytical model, thus providing a sound basis for precise and numerically efficient mesoscale modeling of aeolian structure formation.

-cycle modeling for light-duty vehicles GREET CCLUB CCLUB: Carbon Calculator for Land Use Change from Biofuels, and black carbon (in a new release) CO2e of the three (with their global warming potentials) Criteria

Inclusive of Appendices, this document describes the purpose, rationale, construction, and operation of a biological transportmodel (BIOTRAN). This model is used to predict the flow of transuranic elements (TRU) through specified plant and animal environments using biomass as a vector. The appendices are: (A) Flows of moisture, biomass, and TRU; (B) Intermediate variables affecting flows; (C) Mnemonic equivalents (code) for variables; (D) Variable library (code); (E) BIOTRAN code (Fortran); (F) Plants simulated; (G) BIOTRAN code documentation; (H) Operating instructions for BIOTRAN code. The main text is presented with a specific format which uses a minimum of space, yet is adequate for tracking most relationships from their first appearance to their formulation in the code. Because relationships are treated individually in this manner, and rely heavily on Appendix material for understanding, it is advised that the reader familiarize himself with these materials before proceeding with the main text.

SOLVING VERTICAL TRANSPORT AND CHEMISTRY IN AIR POLLUTION MODELS P.J.F. BERKVENS #3; , M.A. BOTCHEV; transport-chemistry problems from air pollution modelling, standard ODE solvers are not feasible due causing large errors for such species. In the framework of an operational global air pollution model, we

ON THE RECOVERY OF TRANSPORT PARAMETERS IN GROUNDWATER MODELLING IAN KNOWLES AND AIMIN YAN. Introduction Saturated flow and single phase solute transport in confined ground- water systems are modelled one has to resort to indirect, or inverse, techniques to populate the model. In a groundwater system

ON THE RECOVERY OF TRANSPORT PARAMETERS IN GROUNDWATER MODELLING IAN KNOWLES AND AIMIN YAN. Introduction Saturated flow and single phase solute transport in confined groundÂ­ water systems are modelled to resort to indirect, or inverse, techniques to populate the model. In a groundwater system one

Integration of Groundwater TransportModels with Wireless Sensor Networks Kevin Barnhart1 , I.jayasumana@colostate.edu, Fort Collins, CO, USA ABSTRACT Groundwater transportmodeling is intended to aid in remediation be conceptualized in the WSN context. INTRODUCTION As groundwater contamination is an established problem with many

Â­ discrete Galerkin method applying finite differences for the discretization in time and the StreamlineAdaptive Methods for ModellingTransport Processes in Fractured Subsurface Systems 3rdÂ­adaptive methods for modellingtransport processes in fractured rock. As a simplification, ideal tracers

This report examines four petroleum transport network models to determine whether parts of them can be incorporated into the transportation component of a national refinery model. Two questions in particular are addressed. (a) How do the models under examination represent the oil transport network, estimate link capacities, and calculate transport costs. (b) Are any of these network representations, capacity estimates, or cost functions suitable for inclusion in a linear programming model of oil refinery and primary distribution in the US. Only pipeline and waterway transport is discussed. The models examined are the Department of Energy's OILNET model, the Department of Transportation's Freight Energy Model, the Federal Energy Administration Petroleum Transportation Network Model, and an Oak Ridge National Laboratory oil pipeline energy model. Link capacity and cost functions are recommended for each transport mode. The coefficients of the recommended pipeline cost functions remain to be estimated.

Fast ion transportmodels presently implemented in the tokamak transport code TRANSP [R. J. Hawryluk, in Physics of Plasmas Close to Thermonuclear Conditions, CEC Brussels, 1 , 19 (1980)] are not capturing important aspects of the physics associated with resonant transport caused by instabilities such as Toroidal Alfv#19;en Eigenmodes (TAEs). This work describes the implementation of a fast ion transportmodel consistent with the basic mechanisms of resonant mode-particle interaction. The model is formulated in terms of a probability distribution function for the particle's steps in phase space, which is consistent with the MonteCarlo approach used in TRANSP. The proposed model is based on the analysis of fast ion response to TAE modes through the ORBIT code [R. B. White et al., Phys. Fluids 27 , 2455 (1984)], but it can be generalized to higher frequency modes (e.g. Compressional and Global Alfv#19;en Eigenmodes) and to other numerical codes or theories.

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semi-empirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy -- particularly in capturing the correct trends with temperature and carrier concentration. We present here a general transportmodel for calculating low-field electrical drift mobility and Seebeck coefficient of n-type semiconductors, by explicitly considering all relevant physical phenomena (i.e. elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the ban...

This thesis aimed to understand the drivers of total transportation costs during supply chain complexity events, in particular new product launches, in a fast moving consumer goods company in the United States. The research ...

Keratin are among the most abundant proteins in epithelial cells. Functions of the keratin network in cells are shaped by their dynamical organization. Using a collection of experimentally-driven mathematical models, different hypotheses for the turnover and transport of the keratin material in epithelial cells are tested. The interplay between turnover and transport and their effects on the keratin organization in cells are hence investigated by combining mathematical modeling and experimental data. Amongst the collection of mathematical models considered, a best model strongly supported by experimental data is identified. Fundamental to this approach is the fact that optimal parameter values associated with the best fit for each model are established. The best candidate among the best fits is characterized by the disassembly of the assembled keratin material in the perinuclear region and an active transport of the assembled keratin. Our study shows that an active transport of the assembled keratin is required to explain the experimentally observed keratin organization.

We present a framework for modeling the transport of any number of globally conserved quantities in any spatial configuration and apply it to obtain a model of magnetization transport for spin-systems that is valid in new regimes (including high-polarization). The framework allows an entropy function to define a model that explicitly respects the laws of thermodynamics. Three facets of the model are explored. First, it is expressed as nonlinear partial differential equations that are valid for the new regime of high dipole-energy and polarization. Second, the nonlinear model is explored in the limit of low dipole-energy (semi-linear), from which is derived a physical parameter characterizing separative magnetization transport (SMT). It is shown that the necessary and sufficient condition for SMT to occur is that the parameter is spatially inhomogeneous. Third, the high spin-temperature (linear) limit is shown to be equivalent to the model of nuclear spin transport of Genack and Redfield. Differences among the three forms of the model are illustrated by numerical solution with parameters corresponding to a magnetic resonance force microscopy (MRFM) experiment. A family of analytic, steady-state solutions to the nonlinear equation is derived and shown to be the spin-temperature analog of the Langevin paramagnetic equation and Curie's law. Finally, we analyze the separative quality of magnetization transport, and a steady-state solution for the magnetization is shown to be compatible with Fenske's separative mass transport equation.

Using a multiphase transportmodel, we study pseudorapidity distributions and transverse momentum spectra in deuteron-gold collisions at RHIC. We find that final-state partonic and hadronic interactions affect the transverse momentum spectrum...

managable models are sought which capture the important phenomena of interest without needing to calculate of tracer transport associated to power-law regions of the La- grangian power spectrum. We focus on how well

of this technology for enhanced oil recovery, nano-scale sensors and subsurface mapping. Little work has been conducted to establish numerical models to investigate nanoparticle transport in reservoirs, and particularly much less for shale reservoirs. Unlike...

of this technology for enhanced oil recovery, nano-scale sensors and subsurface mapping. Little work has been conducted to establish numerical models to investigate nanoparticle transport in reservoirs, and particularly much less for shale reservoirs. Unlike...

The transport of sediment by a fluid along the surface is responsible for dune formation, dust entrainment and for a rich diversity of patterns on the bottom of oceans, rivers, and planetary surfaces. Most previous models of sediment transport have focused on the equilibrium (or saturated) particle flux. However, the morphodynamics of sediment landscapes emerging due to surface transport of sediment is controlled by situations out-of-equilibrium. In particular, it is controlled by the saturation length characterizing the distance it takes for the particle flux to reach a new equilibrium after a change in flow conditions. The saturation of mass density of particles entrained into transport and the relaxation of particle and fluid velocities constitute the main relevant relaxation mechanisms leading to saturation of the sediment flux. Here we present a theoretical model for sediment transport which, for the first time, accounts for both these relaxation mechanisms and for the different types of sediment entrain...

transporter which exists in plants, viz. LjAMT1;1, our simulations support an hypothesis about why LjAMT2 potential as a natural plant This research is founded by the BioBITs Project (Converging Technologies 2007 to play a fundamen- tal role for plant mineral acquisition, which takes place in the arbuscular mycorrhiza

and in time contaminate large areas. Knowing the behavior of an oil slick after it has been inadvirently released to the ocean surface may be of great practical value. It will permit an assessment of the potential damage to aquatic life and shoreline... Function of Time 20 Longshore Current Nomograph 31 Oil Slick Transport Vectors by Areal Extent (adapted from Keith, et al, 1977)s 32 Program Structure for Program OILSPILL Program Structure for Subroutine DATAENT 37 37 Program Structure...

A modelling experiment has been conceived to assess the impact of transportmodel errors on methane emissions estimated in an atmospheric inversion system. Synthetic methane observations, obtained from 10 different model ...

and optimization of fuel cells in a design and development environment. Kreuer et al.19 recently presented of ongoing efforts to develop more comprehensive compu- tational fuel cell model14-18 that allow analysis of the fundamental transport mechanisms. In the context of multidimensional fuel cell modeling, practical

Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

We present that the transport of colloidal particles in porous media can be effectively modeled with a new formulation of dissipative particle dynamics, which augments standard DPD with non-central dissipative shear forces between particles while preserving angular momentum. Our previous studies have demonstrated that the new formulation is able to capture accurately the drag forces as well as the drag torques on colloidal particles that result from the hydrodynamic retardation e?ect. In the present work, we use the new formulation to study the contact e?ciency in colloid ?ltration in saturated porous media. Note that the present model include all transport mechanisms simultaneously, including gravitational sedimentation, interception and Brownian di?usion. Our results of contact e?ciency show a good agreement with the predictions of the correlation equation proposed by Tufenkji and EliMelech, which also incorporate all transport mechanisms simultaneously without the additivity assumption.

The US Department of Energy (DOE) is preparing to perform significant remediation activities of the sites for which it is responsible. To accomplish this, it is preparing a corporate global plan focused on activities over the next decade. Significant in these planned activities is the transportation of the waste arising from the remediation. The costs of this transportation are expected to be large. To support the initial assessment of the plan, a cost estimating model was developed, peer-reviewed against other available packaging and transportation cost data, and applied to a significant number of shipping campaigns of radioactive waste. This cost estimating model, known as the Ten-year Plan Transportation Cost Model (TEPTRAM), can be used to model radioactive material shipments between DOE sites or from DOE sites to non-DOE destinations. The model considers the costs for (a) recovering and processing of the wastes, (b)packaging the wastes for transport, and (c) the carriage of the waste. It also provides a rough order of magnitude estimate of labor costs associated with preparing and undertaking the shipments. At the user`s direction, the model can also consider the cost of DOE`s interactions with its external stakeholders (e.g., state and local governments and tribal entities) and the cost associated with tracking and communicating with the shipments. By considering all of these sources of costs, it provides a mechanism for assessing and comparing the costs of various waste processing and shipping campaign alternatives to help guide decision-making. Recent analyses of specific planned shipments of transuranic (TRU) waste which consider alternative packaging options are described. These analyses show that options are available for significantly reducing total costs while still satisfying regulatory requirements.

Atomistic-scale behavior drives performance in many micro- and nano-fluidic systems, such as mircrofludic mixers and electrical energy storage devices. Bringing this information into the traditionally continuum models used for engineering analysis has proved challenging. This work describes one such approach to address this issue by developing atomistic-to-continuum multi scale and multi physics methods to enable molecular dynamics (MD) representations of atoms to incorporated into continuum simulations. Coupling is achieved by imposing constraints based on fluxes of conserved quantities between the two regions described by one of these models. The impact of electric fields and surface charges are also critical, hence, methodologies to extend finite-element (FE) MD electric field solvers have been derived to account for these effects. Finally, the continuum description can have inconsistencies with the coarse-grained MD dynamics, so FE equations based on MD statistics were derived to facilitate the multi scale coupling. Examples are shown relevant to nanofluidic systems, such as pore flow, Couette flow, and electric double layer.

This chapter is a contribution in the "Handbook of Applications of Chaos Theory" ed. by Prof. Christos H Skiadas. The chapter is organized as follows. First we study the statistical properties of combs and explain how to reduce the effect of teeth on the movement along the backbone as a waiting time distribution between consecutive jumps. Second, we justify an employment of a comb-like structure as a paradigm for further exploration of a spiny dendrite. In particular, we show how a comb-like structure can sustain the phenomenon of the anomalous diffusion, reaction-diffusion and L\\'evy walks. Finally, we illustrate how the same models can be also useful to deal with the mechanism of ta translocation wave / translocation waves of CaMKII and its propagation failure. We also present a brief introduction to the fractional integro-differentiation in appendix at the end of the chapter.

SERATRA, a transient, two-dimensional (laterally-averaged) computer model of sediment-contaminant transport in rivers, satisfactorily resolved the distribution of sediment and radionuclide concentrations in the Cattaraugus Creek stream system in New York. By modeling the physical processes of advection, diffusion, erosion, deposition, and bed armoring, SERATRA routed three sediment size fractions, including cohesive soils, to simulate three dynamic flow events. In conjunction with the sediment transport, SERATRA computed radionuclide levels in dissolved, suspended sediment, and bed sediment forms for four radionuclides (/sup 137/Cs, /sup 90/Sr, /sup 239/ /sup 240/Pu, and /sup 3/H). By accounting for time-dependent sediment-radionuclide interaction in the water column and bed, SERATA is a physically explicit model of radionuclide fate and migration. Sediment and radionuclide concentrations calculated by SERATA in the Cattaraugus Creek stream system are in reasonable agreement with measured values. SERATRA is in the field performance phase of an extensive testing program designed to establish the utility of the model as a site assessment tool. The model handles not only radionuclides but other contaminants such as pesticides, heavy metals and other toxic chemicals. Now that the model has been applied to four field sites, including the latest study of the Cattaraugus Creek stream system, it is recommended that a final model be validated through comparison of predicted results with field data from a carefully controlled tracer test at a field site. It is also recommended that a detailed laboratory flume be tested to study cohesive sediment transport, deposition, and erosion characteristics. The lack of current understanding of these characteristics is one of the weakest areas hindering the accurate assessment of the migration of radionuclides sorbed by fine sediments of silt and clay.

This report documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) TransportationModel (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model. This document serves three purposes. First, it is a reference document providing a detailed description of TRAN for model analysts, users, and the public. Second, this report meets the legal requirements of the Energy Information Administration (EIA) to provide adequate documentation in support of its statistical and forecast reports (Public Law 93-275, 57(b)(1)). Third, it permits continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements.

The transverse focusing effect in RF cavities plays a considerable role in beam dynamics for low-energy beamline sections and can contribute to beam breakup (BBU) instability. The purpose of this analysis is to examine RF cavity models in simulation codes which will be used for BBU experiments at Jefferson Lab and improve BBU simulation results. We review two RF cavity models in the simulation codes elegant and TDBBU (a BBU simulation code developed at Jefferson Lab). elegant can include the Rosenzweig-Serafini (R-S) model for the RF focusing effect. Whereas TDBBU uses a model from the code TRANSPORT which considers the adiabatic damping effect, but not the RF focusing effect. Quantitative comparisons are discussed for the CEBAF beamline. We also compare the R-S model with the results from numerical simulations for a CEBAF-type 5-cell superconducting cavity to validate the use of the R-S model as an improved low-energy RF cavity transportmodel in TDBBU. We have implemented the R-S model in TDBBU. It will improve BBU simulation results to be more matched with analytic calculations and experimental results.

Observed depth profiles in soils polluted by Zn and Cu that originate from a metal smelter are quantitatively interpreted by combining the production history of the smelter with established transportmodels. Using independent laboratory and field data, we were able to calculate the present depth profiles semiquantitatively by applying the pure convection model without parameter fitting. The agreement of the calculated depth profiles with the experimental data can be improved by including dispersion effects in the convection-dispersion model or the stochastic convection model. For the latter model, the depth profiles were calculated analytically. These models were used to calculate the expected depth profiles in the future and to judge possible remediation strategies. 48 refs., 12 figs., 1 tab.

Global maps of the solar photospheric magnetic flux are fundamental drivers for simulations of the corona and solar wind and therefore are important predictors of geoeffective events. However, observations of the solar photosphere are only made intermittently over approximately half of the solar surface. The Air Force Data Assimilative Photospheric Flux Transport (ADAPT) model uses localized ensemble Kalman filtering techniques to adjust a set of photospheric simulations to agree with the available observations. At the same time, this information is propagated to areas of the simulation that have not been observed. ADAPT implements a local ensemble transform Kalman filter (LETKF) to accomplish data assimilation, allowing the covariance structure of the flux transportmodel to influence assimilation of photosphere observations while eliminating spurious correlations between ensemble members arising from a limited ensemble size. We give a detailed account of the implementation of the LETKF into ADAPT. Advantages of the LETKF scheme over previously implemented assimilation methods are highlighted.

Using a multiphase transportmodel (AMPT) with both partonic and hadronic interactions, we study the multiplicity and transverse momentum distributions of charged particles such as pions, kaons and protons in central Au+Au collisions at RHIC energies. Effects due to nuclear shadowing and jet quenching on these observables are also studied. We further show preliminary results on the production of multistrange baryons from the strangeness-exchange reactions during the hadronic stage of heavy ion collisions.

Lanhe Yang; Xing Zhang [China University of Mining and Technology, Xuzhou (China). College of Resources and Geosciences

2009-01-15T23:59:59.000Z

In order to study and discuss the impact of contaminants produced from underground coal gasification on groundwater, a coupled seepage-thermodynamics-transportmodel for underground gasification was developed on the basis of mass and energy conservation and pollutant-transport mechanisms, the mathematical model was solved by the upstream weighted multisell balance method, and the model was calibrated and verified against the experimental site data. The experiment showed that because of the effects of temperature on the surrounding rock of the gasification panel the measured pore-water-pressure was higher than the simulated one; except for in the high temperature zone where the simulation errors of temperature, pore water pressure, and contaminant concentration were relatively high, the simulation values of the overall gasification panel were well fitted with the measured values. As the gasification experiment progressed, the influence range of temperature field expanded, the gradient of groundwater pressure decreased, and the migration velocity of pollutant increased. Eleven months and twenty months after the test, the differences between maximum and minimum water pressure were 2.4 and 1.8 MPa, respectively, and the migration velocities of contaminants were 0.24-0.38 m/d and 0.27-0.46 m/d, respectively. It was concluded that the numerical simulation of the transport process for pollutants from underground coal gasification was valid. 42 refs., 13 figs., 1 tab.

A new transportmodel that uses neural networks (NNs) to yield electron and ion heat flux profiles has been developed. Given a set of local dimensionless plasma parameters similar to the ones that the highest fidelity models use, the NN model is able to efficiently and accurately predict the ion and electron heat transport profiles. As a benchmark, a NN was built, trained, and tested on data from the 2012 and 2013 DIII-D experimental campaigns. It is found that NN can capture the experimental behavior over the majority of the plasma radius and across a broad range of plasma regimes. Although each radial location is calculated independently from the others, the heat flux profiles are smooth, suggesting that the solution found by the NN is a smooth function of the local input parameters. This result supports the evidence of a well-defined, non-stochastic relationship between the input parameters and the experimentally measured transport fluxes. The numerical efficiency of this method, requiring only a few CPU-?s per data point, makes it ideal for scenario development simulations and real-time plasma control.

Savannah River National Laboratory (SRNL) personnel, at the request of Area Completion Projects (ACP), evaluated In-Situ Disposal (ISD) alternatives that are under consideration for deactivation and decommissioning (D&D) of Building 235-F and the Building 294-2F Sand Filter. SRNL personnel developed and used a GoldSim fate and transportmodel, which is consistent with Musall 2012, to evaluate relative to groundwater protection, ISD alternatives that involve either source removal and/or the grouting of portions or all of 235-F. This evaluation was conducted through the development and use of a Building 235-F GoldSim fate and transportmodel. The model simulates contaminant release from four 235-F process areas and the 294-2F Sand Filter. In addition, it simulates the fate and transport through the vadose zone, the Upper Three Runs (UTR) aquifer, and the Upper Three Runs (UTR) creek. The model is designed as a stochastic model, and as such it can provide both deterministic and stochastic (probabilistic) results. The results show that the median radium activity concentrations exceed the 5 ?Ci/L radium MCL at the edge of the building for all ISD alternatives after 10,000 years, except those with a sufficient amount of inventory removed. A very interesting result was that grouting was shown to basically have minimal effect on the radium activity concentration. During the first 1,000 years grouting may have some small positive benefit relative to radium, however after that it may have a slightly deleterious effect. The Pb-210 results, relative to its 0.06 ?Ci/L PRG, are essentially identical to the radium results, but the Pb-210 results exhibit a lesser degree of exceedance. In summary, some level of inventory removal will be required to ensure that groundwater standards are met.

This report documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) TransportationModel (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model. The NEMS TransportationModel comprises a series of semi-independent models which address different aspects of the transportation sector. The primary purpose of this model is to provide mid-term forecasts of transportation energy demand by fuel type including, but not limited to, motor gasoline, distillate, jet fuel, and alternative fuels (such as CNG) not commonly associated with transportation. The current NEMS forecast horizon extends to the year 2010 and uses 1990 as the base year. Forecasts are generated through the separate consideration of energy consumption within the various modes of transport, including: private and fleet light-duty vehicles; aircraft; marine, rail, and truck freight; and various modes with minor overall impacts, such as mass transit and recreational boating. This approach is useful in assessing the impacts of policy initiatives, legislative mandates which affect individual modes of travel, and technological developments. The model also provides forecasts of selected intermediate values which are generated in order to determine energy consumption. These elements include estimates of passenger travel demand by automobile, air, or mass transit; estimates of the efficiency with which that demand is met; projections of vehicle stocks and the penetration of new technologies; and estimates of the demand for freight transport which are linked to forecasts of industrial output. Following the estimation of energy demand, TRAN produces forecasts of vehicular emissions of the following pollutants by source: oxides of sulfur, oxides of nitrogen, total carbon, carbon dioxide, carbon monoxide, and volatile organic compounds.

Vlasov modelling of parallel transport in a tokamak scrape-off layer G. Manfredi Institut de.Devaux@ccfe.ac.uk Abstract. A one-dimensional Vlasov-Poisson model is used to describe the parallel transport in a tokamak transport in a tokamak scrape-off layer 2 1. Introduction One of the main challenges for future tokamak

The cores and reflectors of High Temperature Reactors (HTRs) of the Next Generation Nuclear Plant (NGNP) type are dominantly diffusive media from the point of view of behavior of the neutrons and their migration between the various structures of the reactor. This means that neutron diffusion theory is sufficient for modeling most features of such reactors and transport theory may not be needed for most applications. Of course, the above statement assumes the availability of homogenized diffusion theory data. The statement is true for most situations but not all. Two features of NGNP-type HTRs require that the diffusion theory-based solution be corrected for local transport effects. These two cases are the treatment of burnable poisons (BP) in the case of the prismatic block reactors and, for both pebble bed reactor (PBR) and prismatic block reactor (PMR) designs, that of control rods (CR) embedded in non-multiplying regions near the interface between fueled zones and said non-multiplying zones. The need for transport correction arises because diffusion theory-based solutions appear not to provide sufficient fidelity in these situations.

Preferential flow and solute transport are common processes in the unsaturated soil, in which distributions of soil water content and solute concentrations are often characterized as fractal patterns. An active region model (ARM) was recently proposed to describe the preferential flow and transport patterns. In this study, ARM governing equations were derived to model the preferential soil water flow and solute transport processes. To evaluate the ARM equations, dye infiltration experiments were conducted, in which distributions of soil water content and Cl{sup -} concentration were measured. Predicted results using the ARM and the mobile-immobile region model (MIM) were compared with the measured distributions of soil water content and Cl{sup -} concentration. Although both the ARM and the MIM are two-region models, they are fundamental different in terms of treatments of the flow region. The models were evaluated based on the modeling efficiency (ME). The MIM provided relatively poor prediction results of the preferential flow and transport with negative ME values or positive ME values less than 0.4. On the contrary, predicted distributions of soil water content and Cl- concentration using the ARM agreed reasonably well with the experimental data with ME values higher than 0.8. The results indicated that the ARM successfully captured the macroscopic behavior of preferential flow and solute transport in the unsaturated soil.

The Idaho National Engineering and Environmental Laboratory (INEEL) is located in southeastern Idaho in the USA. The primary mission since the laboratory was founded in 1949 has been nuclear reactor research. Fifty-two reactors have been built and operated on the INEEL. Other principal activities at the laboratory have been reprocessing of spent nuclear fuel. Low-level radioactive waste generated on site and mixed and transuranic waste from the Rocky Flats plutonium processing facility in Colorado has been disposed on the INEEL at the Radioactive Waste Management Complex (RWMC). Waste disposal at the RWMC began in 1952 with shallow land burial in pits and trenches. The INEEL was placed on the National Priorities List (NPL) in 1989. The resulting environmental assessments of the potential negative health impacts of disposed waste at the RWMC have required the use of predictive numerical simulations. A petroleum reservoir simulator called TETRAD was modified for use in simulating environmental flow and transport. Use of this code has allowed the complex subsurface stratigraphy to be simulated, including an extensive region of unsaturated fractured basalt. Dual continual simulation approaches have been used to assess combined aqueous- and gaseous-phase transport of volatile organic compounds as well as dissolved-phase transport of radionuclides. Calibration of the simulator to available monitoring data has increased the confidence in the simulator results to the point where the model sensitivities are being used to direct additional characterization efforts. Eventually, as the model calibration improves and confidence in the model predictions increases, the simulator will be used as a decision tool for selecting remedial alternatives for the wastes buried at the RWMC. An overview of the overall program including a summary of laboratory actinide migration studies will be presented.

The Idaho National Engineering and Environmental Laboratory (INEEL) is located in southeastern Idaho in the USA. The primary mission since the laboratory was founded in 1949 has been nuclear reactor research. Fifty-two reactors have been built and operated on the INEEL. Other principal activities at the laboratory have been reprocessing of spent nuclear fuel. Low-level radioactive waste generated on site and mixed and transuranic waste from the Rocky Flats plutonium processing facility in Colorado has been disposed on the INEEL at the Radioactive Waste Management Complex (RWMC). Waste disposal at the RWMC began in 1952 with shallow land burial in pits and trenches. The INEEL was placed on the National Priorities List (NPL) in 1989. The resulting environmental assessments of the potential negative health impacts of disposed waste at the RWMC have required the use of predictive numerical simulations. A petroleum reservoir simulator called TETRAD was modified for use in simulating environmental flow and transport. Use of this code has allowed the complex subsurface stratigraphy to be simulated, including an extensive region of unsaturated fractured basalt. Dual continual simulation approaches have been used to assess combined aqueous- and gaseous-phase transport of volatile organic compounds as well as dissolved-phase transport of radionuclides. Calibration of the simulator to available monitoring data has increased the confidence in the simulator results to the point where the model sensitivities are being used to direct additional characterization efforts. Eventually, as the model calibration improves and confidence in the model predictions increases, the simulator will be used as a decision tool for selecting remedial alternatives for the wastes buried at the RWMC. An overview of the overall program including a summary of laboratory actinide migration studies will be presented.

This analysis report is one of the technical reports documenting the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), a biosphere model supporting the total system performance assessment for the license application (TSPA-LA) for the geologic repository at Yucca Mountain. A graphical representation of the documentation hierarchy for the ERMYN is presented in Figure 1-1. This figure shows relationships among the reports developed for biosphere modeling and biosphere abstraction products for the TSPA-LA, as identified in the ''Technical Work Plan for Biosphere Modeling and Expert Support'' (BSC 2004 [DIRS 169573]) (TWP). This figure provides an understanding of how this report contributes to biosphere modeling in support of the license application (LA). This report is one of the five reports that develop input parameter values for the biosphere model. The ''Biosphere Model Report'' (BSC 2004 [DIRS 169460]) describes the conceptual model and the mathematical model. The input parameter reports, shown to the right of the Biosphere Model Report in Figure 1-1, contain detailed description of the model input parameters. The output of this report is used as direct input in the ''Nominal Performance Biosphere Dose Conversion Factor Analysis'' and in the ''Disruptive Event Biosphere Dose Conversion Factor Analysis'' that calculate the values of biosphere dose conversion factors (BDCFs) for the groundwater and volcanic ash exposure scenarios, respectively. The purpose of this analysis was to develop biosphere model parameter values related to radionuclide transport and accumulation in the environment. These parameters support calculations of radionuclide concentrations in the environmental media (e.g., soil, crops, animal products, and air) resulting from a given radionuclide concentration at the source of contamination (i.e., either in groundwater or in volcanic ash). The analysis was performed in accordance with the TWP (BSC 2004 [DIRS 169573]).

This analysis report is one of the technical reports documenting the Environmental Radiation Model for Yucca Mountain Nevada (ERMYN), a biosphere model supporting the total system performance assessment (TSPA) for the geologic repository at Yucca Mountain. A graphical representation of the documentation hierarchy for the ERMYN is presented in Figure 1-1. This figure shows relationships among the reports developed for biosphere modeling and biosphere abstraction products for the TSPA, as identified in the ''Technical Work Plan: for Biosphere Modeling and Expert Support'' (TWP) (BSC 2003 [163602]). Some documents in Figure 1-1 may be under development and not available when this report is issued. This figure provides an understanding of how this report contributes to biosphere modeling in support of the license application (LA), but access to the listed documents is not required to understand the contents of this report. This report is one of the reports that develops input parameter values for the biosphere model. The ''Biosphere Model Report'' (BSC 2003 [160699]) describes the conceptual model, the mathematical model, and the input parameters. The purpose of this analysis is to develop biosphere model parameter values related to radionuclide transport and accumulation in the environment. These parameters support calculations of radionuclide concentrations in the environmental media (e.g., soil, crops, animal products, and air) resulting from a given radionuclide concentration at the source of contamination (i.e., either in groundwater or volcanic ash). The analysis was performed in accordance with the TWP (BSC 2003 [163602]). This analysis develops values of parameters associated with many features, events, and processes (FEPs) applicable to the reference biosphere (DTN: M00303SEPFEPS2.000 [162452]), which are addressed in the biosphere model (BSC 2003 [160699]). The treatment of these FEPs is described in BSC (2003 [160699], Section 6.2). Parameter values developed in this report, and the related FEPs, are listed in Table 1-1. The relationship between the parameters and FEPs was based on a comparison of the parameter definition and the FEP descriptions as presented in BSC (2003 [160699], Section 6.2). The parameter values developed in this report support the biosphere model and are reflected in the TSPA through the biosphere dose conversion factors (BDCFs). Biosphere modeling focuses on radionuclides screened for the TSPA-LA (BSC 2002 [160059]). The same list of radionuclides is used in this analysis (Section 6.1.4). The analysis considers two human exposure scenarios (groundwater and volcanic ash) and climate change (Section 6.1.5). This analysis combines and revises two previous reports, ''Transfer Coefficient Analysis'' (CRWMS M&O 2000 [152435]) and ''Environmental Transport Parameter Analysis'' (CRWMS M&O 2001 [152434]), because the new ERMYN biosphere model requires a redefined set of input parameters. The scope of this analysis includes providing a technical basis for the selection of radionuclide- and element-specific biosphere parameters (except for Kd) that are important for calculating BDCFs based on the available radionuclide inventory abstraction data. The environmental transport parameter values were developed specifically for use in the biosphere model and may not be appropriate for other applications.

Clouds exert major influences on both shortwave and longwave radiation as well as on the hydrological cycle. Accurate representation of clouds in climate models is a major unsolved problem because of high sensitivity of radiation and hydrology to cloud properties and processes, incomplete understanding of these processes, and the wide range of length scales over which these processes occur. Small changes in the amount, altitude, physical thickness, and/or microphysical properties of clouds due to human influences can exert changes in Earth's radiation budget that are comparable to the radiative forcing by anthropogenic greenhouse gases, thus either partly offsetting or enhancing the warming due to these gases. Because clouds form on aerosol particles, changes in the amount and/or composition of aerosols affect clouds in a variety of ways. The forcing of the radiation balance due to aerosol-cloud interactions (indirect aerosol effect) has large uncertainties because a variety of important processes are not well understood precluding their accurate representation in models.

We analyse pion-nucleus reactions in a microscopic transportmodel of the BUU type, which propagates nucleons, pions, deltas and N(1440)-resonances explicitly in space and time. In particular we examine pion absorption and inelastic scattering cross sections for pion kinetic energies T(pi) =85-315MeV and various target masses. In general, the mass-dependence of the experimental data is well described for energies up to the delta-resonance (\\approx 160 MeV) while the absorption cross sections are somewhat overestimated for the higher energies. In addition we study the possible dynamical effects of delta- and pion-potentials in the medium on various observables as well as alternative models for the in-medium delta-width.

This report describes the results of a detailed literature review of radionuclide transportmodels applicable to rivers, estuaries, coastal waters, the Great Lakes, and impoundments. Some representatives sediment transport and water quality models were also reviewed to evaluate if they can be readily adapted to radionuclide transportmodeling. The review showed that most available transportmodels were developed for dissolved radionuclide in rivers. These models include the mechanisms of advection, dispersion, and radionuclide decay. Since the models do not include sediment and radionuclide interactions, they are best suited for simulating short-term radionuclide migration where: (1) radionuclides have small distribution coefficients; (2) sediment concentrations in receiving water bodies are very low. Only 5 of the reviewed models include full sediment and radionuclide interactions: CHMSED developed by Fields; FETRA SERATRA, and TODAM developed by Onishi et al, and a model developed by Shull and Gloyna. The 5 models are applicable to cases where: (1) the distribution coefficient is large; (2) sediment concentrations are high; or (3) long-term migration and accumulation are under consideration. The report also discusses radionuclide absorption/desorption distribution ratios and addresses adsorption/desorption mechanisms and their controlling processes for 25 elements under surface water conditions. These elements are: Am, Sb, C, Ce, Cm, Co, Cr, Cs, Eu, I, Fe, Mn, Np, P, Pu, Pm, Ra, Ru, Sr, Tc, Th, {sup 3}H, U, Zn and Zr.

A hybrid model for particle transport and electron energy distributions in positive column species are generated in the kinetic module. The hybrid model has been used to examine electron energy which has discrete negative energies representing bound states, and a positive continuum representing

Introduction Meaningful simulations of radiation transport applications require realistic definitions of material composition and densities. When seeking that information for applications in fields such as homeland security, radiation shielding and protection, and criticality safety, researchers usually encounter a variety of materials for which elemental compositions are not readily available or densities are not defined. Publication of the Compendium of Material Composition Data for Radiation TransportModeling, Revision 0, in 2006 was the first step toward mitigating this problem. Revision 0 of this document listed 121 materials, selected mostly from the combined personal libraries of staff at the Pacific Northwest National Laboratory (PNNL), and thus had a scope that was recognized at the time to be limited. Nevertheless, its creation did provide a well-referenced source of some unique or hard-to-define material data in a format that could be used directly in radiation transport calculations being performed at PNNL. Moreover, having a single common set of material definitions also helped to standardize at least one aspect of the various modeling efforts across the laboratory by providing separate researchers the ability to compare different model results using a common basis of materials. The authors of the 2006 compendium understood that, depending on its use and feedback, the compendium would need to be revised to correct errors or inconsistencies in the data for the original 121 materials, as well as to increase (per users suggestions) the number of materials listed. This 2010 revision of the compendium has accomplished both of those objectives. The most obvious change is the increased number of materials from 121 to 372. The not-so-obvious change is the mechanism used to produce the data listed here. The data listed in the 2006 document were compiled, evaluated, entered, and error-checked by a group of individuals essentially by hand, providing no library file or mechanism for revising the data in a consistent and traceable manner. The authors of this revision have addressed that problem by first compiling all of the information (i.e., numbers and references) for all the materials into a single database, maintained at PNNL, that was then used as the basis for this document.

Cytoskeletal networks, which are essentially motor-filament assemblies, play a major role in many developmental processes involving structural remodeling and shape changes. These are achieved by nonequilibrium self-organization processes that generate functional patterns and drive intracellular transport. We construct a minimal physical model that incorporates the coupling between nonlinear elastic responses of individual filaments and force-dependent motor action. By performing stochastic simulations we show that the interplay of motor processes, described as driving anti-correlated motion of the network vertices, and the network connectivity, which determines the percolation character of the structure, can indeed capture the dynamical and structural cooperativity which gives rise to diverse patterns observed experimentally. The buckling instability of individual filaments is found to play a key role in localizing collapse events due to local force imbalance. Motor-driven buckling-induced node aggregation provides a dynamic mechanism that stabilizes the two dimensional patterns below the apparent static percolation limit. Coordinated motor action is also shown to suppress random thermal noise on large time scales, the two dimensional configuration that the system starts with thus remaining planar during the structural development. By carrying out similar simulations on a three dimensional anchored network, we find that the myosin-driven isotropic contraction of a well-connected actin network, when combined with mechanical anchoring that confers directionality to the collective motion, may represent a novel mechanism of intracellular transport, as revealed by chromosome translocation in the starfish oocyte.

header for SPIE use Laboratory Data and Model Comparisons of the Transport of Chemical Signatures to examine the breadth of conditions that impact chemical signature transport, from the buried location results from the T2TNT code, specifically developed to evaluate the buried landmine chemical transport

Fractional advection-dispersion equations for1 modelingtransport at the Earth surface2 Rina partial differential equations such as the advection-dispersion equation12 (ADE) begin with assumptions biomechanical transport and mixing29 by bioturbation, and the transport of sediment particles and sediment

Simulating aerosols using a chemical transportmodel with assimilation of satellite aerosol for simulating aerosols has been developed using a chemical transportmodel together with an assimilation of satellite aerosol retrievals. The methodology and model components are described in this paper

My study is about opportunities for revolutionary developments in urban transport. Often, we think of transport and urban development as an evolutionary process, yet there exist a few opportunities for cities to revolutionize ...

Utilization of alternative fuels in the transportation sector has been identified as a potential method for mitigation of petroleum-based energy dependence and pollutant emissions from mobile sources. Traditionally, vehicle tailpipe emissions have served as sole data when evaluating environmental impact. However, considerable differences in extraction and processing requirements for alternative fuels makes evident the need to consider the complete fuel production and use cycle for each fuel scenario. The work presented here provides a case study applied to the southeastern region of the US for conventional gasoline, reformulated gasoline, natural gas, and methanol vehicle fueling. Results of the study demonstrate the significance of the nonvehicle processes, such as fuel refining, in terms of energy expenditure and emissions production. Unique to this work is the application of the MOBILE5 mobile emissions model in the full-fuel-cycle analysis. Estimates of direct and indirect greenhouse gas production are also presented and discussed using the full-cycle-analysis method.

Many different types of cellular cargos are transported bidirectionally along microtubules by teams of molecular motors. The motion of this cargo-motors system has been experimentally characterized in vivo as processive with rather persistent directionality. Different theoretical approaches have been suggested in order to explore the origin of this kind of motion. An effective theoretical approach, introduced by M\\"uller et al., describes the cargo dynamics as a tug-of-war between different kinds of motors. An alternative approach has been suggested recently by Kunwar et al., who considered the coupling between motor and cargo in more detail. Based on this framework we introduce a model considering single motor positions which we propagate in continuous time. Furthermore, we analyze the possible influence of the discrete time update schemes used in previous publications on the system's dynamic.

Biostimulation field experiments with acetate amendment are being performed at a former uranium mill tailings site in Rifle, Colorado, to investigate subsurface processes controlling in situ bioremediation of uranium-contaminated groundwater. An important part of the research is identifying and quantifying field-scale models of the principal terminal electron-accepting processes (TEAPs) during biostimulation and the consequent biogeochemical impacts to the subsurface receiving environment. Integrating abiotic chemistry with the microbially mediated TEAPs in the reaction network brings into play geochemical observations (e.g., pH, alkalinity, redox potential, major ions, and secondary minerals) that the reactive transportmodel must recognize. These additional constraints provide for a more systematic and mechanistic interpretation of the field behaviors during biostimulation. The reaction network specification developed for the 2002 biostimulation field experiment was successfully applied without additional calibration to the 2003 and 2007 field experiments. The robustness of the model specification is significant in that 1) the 2003 biostimulation field experiment was performed with 3 times higher acetate concentrations than the previous biostimulation in the same field plot (i.e., the 2002 experiment), and 2) the 2007 field experiment was performed in a new unperturbed plot on the same site. The biogeochemical reactive transport simulations accounted for four TEAPs, two distinct functional microbial populations, two pools of bioavailable Fe(III) minerals (iron oxides and phyllosilicate iron), uranium aqueous and surface complexation, mineral precipitation, and dissolution. The conceptual model for bioavailable iron reflects recent laboratory studies with sediments from the Old Rifle Uranium Mill Tailings Remedial Action (UMTRA) site that demonstrated that the bulk (~90%) of Fe(III) bioreduction is associated with the phyllosilicates rather than the iron oxides. The uranium reaction network includes a U(VI) surface complexation model based on laboratory studies with Old Rifle UMTRA sediments and aqueous complexation reactions that include ternary complexes (e.g., calcium-uranyl-carbonate). The bioreduced U(IV), Fe(II), and sulfide components produced during the experiments are strongly associated with the solid phases and may play an important role in long-term uranium immobilization.

Environmental restoration at the Shoal underground nuclear test is following a process prescribed by a Federal Facility Agreement and Consent Order (FFACO) between the U.S. Department of Energy, the U.S. Department of Defense, and the State of Nevada. Characterization of the site included two stages of well drilling and testing in 1996 and 1999, and development and revision of numerical models of groundwater flow and radionuclide transport. Agreement on a contaminant boundary for the site and a corrective action plan was reached in 2006. Later that same year, three wells were installed for the purposes of model validation and site monitoring. The FFACO prescribes a five-year proof-of-concept period for demonstrating that the site groundwater model is capable of producing meaningful results with an acceptable level of uncertainty. The corrective action plan specifies a rigorous seven step validation process. The accepted groundwater model is evaluated using that process in light of the newly acquired data. The conceptual model of ground water flow for the Project Shoal Area considers groundwater flow through the fractured granite aquifer comprising the Sand Springs Range. Water enters the system by the infiltration of precipitation directly on the surface of the mountain range. Groundwater leaves the granite aquifer by flowing into alluvial deposits in the adjacent basins of Fourmile Flat and Fairview Valley. A groundwater divide is interpreted as coinciding with the western portion of the Sand Springs Range, west of the underground nuclear test, preventing flow from the test into Fourmile Flat. A very low conductivity shear zone east of the nuclear test roughly parallels the divide. The presence of these lateral boundaries, coupled with a regional discharge area to the northeast, is interpreted in the model as causing groundwater from the site to flow in a northeastward direction into Fairview Valley. Steady-state flow conditions are assumed given the absence of groundwater withdrawal activities in the area. The conceptual and numerical models were developed based upon regional hydrogeologic investigations conducted in the 1960s, site characterization investigations (including ten wells and various geophysical and geologic studies) at Shoal itself prior to and immediately after the test, and two site characterization campaigns in the 1990s for environmental restoration purposes (including eight wells and a year-long tracer test). The new wells are denoted MV-1, MV-2, and MV-3, and are located to the northnortheast of the nuclear test. The groundwater model was generally lacking data in the north-northeastern area; only HC-1 and the abandoned PM-2 wells existed in this area. The wells provide data on fracture orientation and frequency, water levels, hydraulic conductivity, and water chemistry for comparison with the groundwater model. A total of 12 real-number validation targets were available for the validation analysis, including five values of hydraulic head, three hydraulic conductivity measurements, three hydraulic gradient values, and one angle value for the lateral gradient in radians. In addition, the fracture dip and orientation data provide comparisons to the distributions used in the model and radiochemistry is available for comparison to model output. Goodness-of-fit analysis indicates that some of the model realizations correspond well with the newly acquired conductivity, head, and gradient data, while others do not. Other tests indicated that additional model realizations may be needed to test if the model input distributions need refinement to improve model performance. This approach (generating additional realizations) was not followed because it was realized that there was a temporal component to the data disconnect: the new head measurements are on the high side of the model distributions, but the heads at the original calibration locations themselves have also increased over time. This indicates that the steady-state assumption of the groundwater model is in error. To test the robustness of the model d

A real-time capable core turbulence tokamak transportmodel is developed. This model is constructed from the regularized nonlinear regression of quasilinear gyrokinetic transport code output. The regression is performed with a multilayer perceptron neural network. The transport code input for the neural network training set consists of five dimensions, and is limited to adiabatic electrons. The neural network model successfully reproduces transport fluxes predicted by the original quasilinear model, while gaining five orders of magnitude in computation time. The model is implemented in a real-time capable tokamak simulator, and simulates a 300s ITER discharge in 10s. This proof-of-principle for regression based transportmodels anticipates a significant widening of input space dimensionality and physics realism for future training sets. This aims to provide unprecedented computational speed coupled with first-principle based physics for real-time control and integrated modelling applications.

We use the global 3-D chemical transportmodel GEOS-Chem to simulate long-range atmospheric transport of polycyclic aromatic hydrocarbons (PAHs). To evaluate the model’s ability to simulate PAHs with different volatilities, ...

In order to predict long-term leaching behavior of cement constituents for safety assessments of radioactive waste disposal, we modeled diffusive mass transport in micropores in cement based materials. Based on available knowledge on the pore structure, we developed a transport porosity model that enables us to estimate effective porosity available for diffusion (transport porosity) in cement based materials. We microscopically examined the pore structure of hardened cement pastes to partially verify the model. Effective diffusivities of tritiated water in hardened cement pastes were also obtained experimentally, and were shown to be proportional to the estimated transport porosity.

groundwater flow and solute transport in three dimensions in both saturated and unsaturated porous media. The model simulates mechanical dispersion using a spatially vari- able intrinsic permeability field. This approach provides a, more realistic physical.... TRANSVIP is a three-dimensional flow and transportmodel capable of simulating contaminant transport in both saturated and unsaturated porous me- dia and does not assume Fickian dispersion. In TRANSVIP, the flow deviations that cause mechanical...

This report documents the construction, verification, and demonstration of a Finite Element Model of Material Transport through Aquifers (FEMA). The particular features of FEMA are its versatility and flexibility to deal with as many real-world problems as possible. Mechanisms included in FEMA are: carrier fluid advection, hydrodynamic dispersion and molecular diffusion, radioactive decay, sorption, source/sinks, and degradation due to biological, chemical as well as physical processes. Three optional sorption models are embodied in FEMA. These are linear isotherm and Freundlich and Langmuir nonlinear isotherms. Point as well as distributed source/sinks are included to represent artificial injection/withdrawals and natural infiltration of precipitation. All source/sinks can be transient or steady state. Prescribed concentration on the Dirichlet boundary, given gradient on the Neumann boundary segment, and flux at each Cauchy boundary segment can vary independently of each other. The aquifer may consist of as many formations as desired. Either completely confined or completely unconfined or partially confined and partially unconfined aquifers can be dealt with effectively. FEMA also includes transient leakage to or from the aquifer of interest through confining beds from or to aquifers lying below and/or above.

The attachments contained within this appendix provide additional details about the model development and estimation process which do not easily lend themselves to incorporation in the main body of the model documentation report. The information provided in these attachments is not integral to the understanding of the model`s operation, but provides the reader with opportunity to gain a deeper understanding of some of the model`s underlying assumptions. There will be a slight degree of replication of materials found elsewhere in the documentation, made unavoidable by the dictates of internal consistency. Each attachment is associated with a specific component of the transportationmodel; the presentation follows the same sequence of modules employed in Volume 1. The following attachments are contained in Appendix F: Fuel Economy Model (FEM)--provides a discussion of the FEM vehicle demand and performance by size class models; Alternative Fuel Vehicle (AFV) Model--describes data input sources and extrapolation methodologies; Light-Duty Vehicle (LDV) Stock Model--discusses the fuel economy gap estimation methodology; Light Duty Vehicle Fleet Model--presents the data development for business, utility, and government fleet vehicles; Light Commercial Truck Model--describes the stratification methodology and data sources employed in estimating the stock and performance of LCT`s; Air Travel Demand Model--presents the derivation of the demographic index, used to modify estimates of personal travel demand; and Airborne Emissions Model--describes the derivation of emissions factors used to associate transportation measures to levels of airborne emissions of several pollutants.

A non-isothermal PEM fuel cell model including two water transport mechanisms in the membrane K Freiburg Germany A dynamic two-phase flow model for proton exchange mem- brane (PEM) fuel cells and the species concentrations. In order to describe the charge transport in the fuel cell the Poisson equations

A Mixed Finite-Element Discretization of the Energy-TransportModel for Semiconductors Stefan Holst #12;tting mixed #12;nite-element method is used to discretize the stationary energy. Energy-transportmodels describe the ow of electrons through a semi- conductor device, in uenced by di

Radiation portal monitors are being deployed, both domestically and internationally, to detect illicit movement of radiological materials concealed in cargo. Evaluation of the current and next generations of these radiation portal monitor (RPM) technologies is an ongoing process. 'Injection studies' that superimpose, computationally, the signature from threat materials onto empirical vehicle profiles collected at ports of entry, are often a component of the RPM evaluation process. However, measurement of realistic threat devices can be both expensive and time-consuming. Radiation transport methods that can predict the response of radiation detection sensors with high fidelity, and do so rapidly enough to allow the modeling of many different threat-source configurations, are a cornerstone of reliable evaluation results. Monte Carlo methods have been the primary tool of the detection community for these kinds of calculations, in no small part because they are particularly effective for calculating pulse-height spectra in gamma-ray spectrometers. However, computational times for problems with a high degree of scattering and absorption can be extremely long. Deterministic codes that discretize the transport in space, angle, and energy offer potential advantages in computational efficiency for these same kinds of problems, but the pulse-height calculations needed to predict gamma-ray spectrometer response are not readily accessible. These complementary strengths for radiation detection scenarios suggest that coupling Monte Carlo and deterministic methods could be beneficial in terms of computational efficiency. Pacific Northwest National Laboratory and its collaborators are developing a RAdiation Detection Scenario Analysis Toolbox (RADSAT) founded on this coupling approach. The deterministic core of RADSAT is Attila, a three-dimensional, tetrahedral-mesh code originally developed by Los Alamos National Laboratory, and since expanded and refined by Transpire, Inc. [1]. MCNP5 is used to calculate sensor pulse-height tallies. RADSAT methods, including adaptive, problem-specific energy-group creation, ray-effect mitigation strategies and the porting of deterministic angular flux to MCNP for individual particle creation are described in [2][3][4]. This paper discusses the application of RADSAT to the modeling of gamma-ray spectrometers in RPMs.

The fission matrix method may be used to solve the critical eigenvalue problem in a Monte Carlo simulation. This method gives us access to the different eigenvalues and eigenvectors of the transport or fission operator. We propose to compare the results obtained via the fission matrix method with those of the diffusion model, and an approximated transportmodel. To do so, we choose to analyse the mono-kinetic and continuous energy cases for a Godiva-inspired critical sphere. The first five eigenvalues are computed with TRIPOLI-4{sup R} and compared to the theoretical ones. An extension of the notion of the extrapolation distance is proposed for the modes other than the fundamental one. (authors)

A multicomponent multiphase reactive transport simulator has been developed to facilitate the investigation of a large variety of phenomena in porous media including component transport, diffusion, microbiological growth and decay, cell attachment and detachment and phase exchange. The coupled problem is solved using operator splitting. This approach allows a flexible adaptation of the solution strategy to the concrete problem. Moreover, the individual submodels were optimised to be able to describe behaviour of Escherichia coli (HB101 K12 pGLO) in the capillary fringe in the presence or absence of dissolved organic carbon and oxygen under steady-state and flow conditions. Steady-state and flow through experiments in a Hele-Shaw cell, filled with quartz sand, were conducted to study eutrophic bacterial growth and transport in both saturated and unsaturated porous media. As E. coli cells can form the green fluorescent protein (GFP), the cell densities, calculated by evaluation of measured fluorescence intensit...

A new numerical method is described for the fully iterated, conjugate solution of two discrete submodels, involving (a) a transport network model for heat, moisture, and airflows in a high-permeability, air-filled cavity; and (b) a variably saturated fractured porous medium. The transport network submodel is an integrated-parameter, computational fluid dynamics solver, describing the thermal-hydrologic transport processes in the flow channel system of the cavity with laminar or turbulent flow and convective heat and mass transport, using MULTIFLUX. The porous medium submodel, using TOUGH2, is a solver for the heat and mass transport in the fractured rock mass. The new model solution extends the application fields of TOUGH2 by integrating it with turbulent flow and transport in a discrete flow network system. We present demonstrational results for a nuclear waste repository application at Yucca Mountain with the most realistic model assumptions and input parameters including the geometrical layout of the nuclear spent fuel and waste with variable heat load for the individual containers. The MULTIFLUX and TOUGH2 model elements are fully iterated, applying a programmed reprocessing of the Numerical Transport Code Functionalization model-element in an automated Outside Balance Iteration loop. The natural, convective airflow field and the heat and mass transport in a representative emplacement drift during postclosure are explicitly solved in the new model. The results demonstrate that the direction and magnitude of the air circulation patterns and all transport modes are strongly affected by the heat and moisture transport processes in the surrounding rock, justifying the need for a coupled, fully iterated model solution such as the one presented in the paper.

transport from one-, two-, and three-dimensional finite sources in a finite-thickness aquifer using Green's function method. A library of unpublished analytical solutions with different finite source geometry is provided. A graphically integrated software...

This dissertation is composed of three parts of major contributions. In Chapter II, we discuss analytical study of contaminant transport from a finite source in a finite-thickness aquifer. This chapter provides analytical solutions of contaminant...

Subsurface reactive transportmodeling may be defi ned as the use of mathematical models to simulate the fate and transport of dissolved species and particulates in groundwater as these species are transported through porous media and react with each other, with mineral surfaces, and with microbes associated with the porous media matrix. This type of modeling has evolved over the last 30 yr from a specialized research topic involving a dozen or so practitioners (with often large stacks of computer punch cards) to a common offi ce tool found today on the personal computer (and occasional supercomputer) of many environmental chemists, geochemists, and soil scientists. The devel-

Modeling electronic structure and transport properties of graphene with resonant scattering centers present a detailed numerical study of the electronic properties of single-layer graphene with resonant and transport properties of functionalized graphene in a broad range of concentration of impurities from

Proton transportmodel in the ionosphere. 2. In¯uence of magnetic mirroring and collisions on the angular redistribution in a proton beam M. Galand1 , J. Lilensten2 , W. Kofman2 , D. Lummerzheim3 1 High in a proton/hydrogen beam by using a transport code in comparison with observations. H-emission Doppler pro

Finite-Volume-Particle Methods for Models of Transport of Pollutant in Shallow Water Alina Chertock of shallow water equations and the pollutant propagation is described by a transport equation. The idea and the pollution computations: the shallow water equations are numerically integrated using a #12;nite- volume

A state estimate produced by ECCO-GODAE from a global one-degree model and data spanning the years 1992-2005 is analyzed in terms of transports of volume, temperature, and freshwater. The estimate is assessed to be ...

A set of three analytical models is used to study the imbedding of specific transport technologies within a multi-sector, multi-region evaluation of constraints on greenhouse emissions. Key parameters of a computable general ...

Geophysical constraints on contaminant transportmodeling in a heterogeneous fluvial aquifer Jerry the geophysically derived hydraulic conductivity representation in numerical simulations of the natural the effectiveness of geophysically derived and flowmeter based representations of the hydraulic conductivity field

hydrocarbon, nutrient, metals, and solids. Vegetation also plays an important role in reducing water volume, and removing nutrients and solutes from the contaminated soil. We used a reactive transportmodel MIN3P-THM to simulate the natural attenuation...

Volume VII of the documentation for the Phase I Data Analysis Task performed in support of the current Regional Flow Model, TransportModel, and Risk Assessment for the Nevada Test Site Underground Test Area Subproject contains the tritium transportmodel documentation. Because of the size and complexity of the model area, a considerable quantity of data was collected and analyzed in support of the modeling efforts. The data analysis task was consequently broken into eight subtasks, and descriptions of each subtask's activities are contained in one of the eight volumes that comprise the Phase I Data Analysis Documentation.

TRANSPORT PARAMETER DETERMINATION AND MODELING OF SODIUM AND STRONTIUM PLUMES AT THE IDAHO NATIONAL ENGINEERING LABORATORY A Thesis by JOHN THOMAS LONDERGAN Submitted to the Graduate College of Texas A&M University in partial fulfillment... of the requirements for the degree of MASTER OF SCIENCE May 1987 Major Subject: Geophysics TRANSPORT PARAMETER DETERMINATION AND MODELING OF SODIUM AND STRONTIUM PLUMES AT THE IDAHO NATIONAL ENGINEERING LABORATORY A Thesis by JOHN THOMAS LONDERGAN Approved...

This paper describes in the needs and requirements to properly and efficiently model fission product transport on full scope reactor simulators. Current LWR simulators can be easily adapted to model severe accident phenomena and the transport of radionuclides. Once adapted these simulators can be used as a training tool during operator training exercises for training on severe accident guidelines, for training on containment venting procedures, or as training tool during site wide emergency training exercises.

This paper describes in the needs and requirements to properly and efficiently model fission product transport on full scope reactor simulators. Current LWR simulators can be easily adapted to model severe accident phenomena and the transport of radionuclides. Once adapted these simulators can be used as a training tool during operator training exercises for training on severe accident guidelines, for training on containment venting procedures, or as training tool during site wide emergency training exercises.

University of New York, Flushing, New York 11367, Department of Marine Chemistry and Geochemistry, Woods Hole Bay, MA, shed light on coupled control of chemistry and hydrology on reactive transport), phosphate (5), and oxyanions of molybdenum (6) and uranium (7, 8) in aquifers. In addition

A MODEL FOR THE FLEET SIZING OF DEMAND RESPONSIVE TRANSPORTATION SERVICES WITH TIME WINDOWS Marco a demand responsive transit service with a predetermined quality for the user in terms of waiting time models; Continuous approximation models; Paratransit services; Demand responsive transit systems. #12;3 1

Projectile like fragments emerging from heavy ion collision have an excitation energy which is often labeled by a temperature. This temperature was recently calculated using a geometric model. We expand the geometric model to include also dynamic effects using a transportmodel. The temperatures so deduced agree quite well with values of temperature needed to fit experimental data.

and transport near horizontal wells, hydraulics of flowing horizontal wells, fresh water/sea water upconing and fractured media, and hydrogeophysics. He is an associate editor of some well-know journal such as Water Resources Research, Advances in Water Resources, and Journal of contaminant Hydrology. Chunmiao Zheng

Radiation doses that may have resulted from operations at the Hanford Site are being estimated in the Hanford Environmental Dose Reconstruction (HEDR) Project. One of the project subtasks, atmospheric transport, is responsible for estimating the transport, diffusion and deposition of radionuclides released to the atmosphere. This report discusses modelingtransport and diffusion in the atmospheric pathway. It is divided into three major sections. The first section of the report presents the atmospheric modeling approach selected following discussion with the Technical Steering Panel that directs the HEDR Project. In addition, the section discusses the selection of the MESOI/MESORAD suite of atmospheric dispersion models that form the basis for initial calculations and future model development. The second section of the report describes alternative modeling approaches that were considered. Emphasis is placed on the family of plume and puff models that are based on Gaussian solution to the diffusion equations. The final portion of the section describes the performance of various models. The third section of the report discusses factors that bear on the selection of an atmospheric transportmodeling approach for HEDR. These factors, which include the physical setting of the Hanford Site and the available meteorological data, serve as constraints on model selection. Five appendices are included in the report. 39 refs., 4 figs., 2 tabs.

Yokoi, N. [Institute of Industrial Science, University of Tokyo, Tokyo (Japan)] [Institute of Industrial Science, University of Tokyo, Tokyo (Japan); Higashimori, K.; Hoshino, M. [Department of Earth and Planetary Science, University of Tokyo, Tokyo (Japan)] [Department of Earth and Planetary Science, University of Tokyo, Tokyo (Japan)

2013-12-15T23:59:59.000Z

Through the enhancement of transport, turbulence is expected to contribute to the fast reconnection. However, the effects of turbulence are not so straightforward. In addition to the enhancement of transport, turbulence under some environment shows effects that suppress the transport. In the presence of turbulent cross helicity, such dynamic balance between the transport enhancement and suppression occurs. As this result of dynamic balance, the region of effective enhanced magnetic diffusivity is confined to a narrow region, leading to the fast reconnection. In order to confirm this idea, a self-consistent turbulence model for the magnetic reconnection is proposed. With the aid of numerical simulations where turbulence effects are incorporated in a consistent manner through the turbulence model, the dynamic balance in the turbulence magnetic reconnection is confirmed.

This report describes the theoretical background on modeling electron transport in the presence of electric and magnetic fields by incorporating the effects of the Lorentz force on electron motion into the Boltzmann transport equation. Electromagnetic fields alter the electron energy and trajectory continuously, and these effects can be characterized mathematically by differential operators in terms of electron energy and direction. Numerical solution techniques, based on the discrete-ordinates and finite-element methods, are developed and implemented in an existing radiation transport code, SCEPTRE.

There are two diffusion processes, molecular and turbulent, which should be modelled in different ways. Molecular diffusion is modelled by Wilke's formula for the multi-component gas diffusion, where the diffusion constants ...

is a numerical computer model of soil-gas and radon trans- port in porous media. It can be used, for example radon exhalation from building materials such as concrete. The finite-volume model is a technical

Observations and models of heat and salt transport at a deepwater Gulf of Mexico vent Andrew Smith salinity and temperature anomalies at a deepwater Gulf of Mexico vent in lease blocks MC852/853. In our method for estimating gas and water flux from vents. Our model indicates that vents in the Gulf of Mexico

Benchmarking a Visual-Basic based multi-component one-dimensional reactive transportmodeling tool of a comprehensive numerical modeling tool, RT1D, which can be used for simulating biochemical and geochemical, and it does not require any additional software tools. The code can be easily adapted by others for simulating

Finite-element discretization of a linearized 2 - D model for lubricated oil transportation V acts as a lubricant by coating the wall of the pipeline, thus preventing the oil from adhering is devoted to the numerical simulation of a linearized model for the lubricated trans- portation of heavy

This report documents a model for estimating railstop doses that occur during incident-free transport of nuclear waste by rail. The model, which has been incorporated into the RADTRAN III risk assessment code, can be applied to general freight and dedicated train shipments of waste.

A model for reactive porous transport during re-wetting of hardened concrete Michael Chapwanya residing in the porous concrete matrix. The main hypothesis in this model is that the reaction product hydration; Porous media; Reaction-diffusion equations; Vari- able porosity. 1. Introduction Concrete

Fluid transport in branched structures with temporary closures: A model for quasistatic lung a model system relevant to the inflation of a mammalian lung, an asymmetric bifurcating structure description of the underlying branching structure of the lung, by analyzing experimental pressure-volume data

This report documents the analysis of the available transport parameter data conducted in support of the development of a Corrective Action Unit (CAU) groundwater flow model for Central and Western Pahute Mesa: CAUs 101 and 102.

Model tests were performed at the Geotechnical Centrifuge Facility of Delft University of Technology, The Netherlands, to examine the mechanics of light nonaqueous phase liquid (LNAPL) movement in a partially saturated porous granular medium. The experiment simulated a 2D spill of LNAPL in an unsaturated sand prepared at two values of porosity. The duration of the centrifuge model tests corresponded to a prototype equivalent of 110 days. The choice of modeling a 2D flow together with the use of a transparent container enabled direct visual observation of the experiments. Scaling laws developed in connection with other centrifuge modeling studies were used to support the test results. Tests were conducted at two different centrifuge accelerations to verify, by means of the modeling of models technique, the similitude between the different experiments. The paper presents details of the experimental methodologies and the measuring techniques used to evaluate the final distribution of water and LNAPL content in the soils.

Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier system will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transportmodel of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive transportmodel) to examine the long term behaviour of deep geological repositories with media property change under complex geochemical conditions. (authors)

We use radial basis functions to model the input--output response of an electronic device. A new methodology for producing models that accuratly describe the response of the device over a wide range of operating points is introduced. A key to the success of the method is the ability to find a polynomial relationship between the model parameters and the operating points of the device.

The Culebra Dolomite Member of the Rustler Formation represents a possible pathway for contaminants from the Waste Isolation Pilot Plant underground repository to the accessible environment. The geologic character of the Culebra is consistent with a double-porosity, multiple-rate model for transport in which the medium is conceptualized as consisting of advective porosity, where solutes are carried by the groundwater flow, and fracture-bounded zones of diffusive porosity, where solutes move through slow advection or diffusion. As the advective travel length or travel time increases, the nature of transport within a double-porosity medium changes. This behavior is important for chemical sorption, because the specific surface area per unit mass of the diffusive porosity is much greater than in the advective porosity. Culebra transport experiments conducted at two different length scales show behavior consistent with a multiple-rate, double-porosity conceptual model for Culebra transport. Tracer tests conducted on intact core samples from the Culebra show no evidence of significant diffusion, suggesting that at the core scale the Culebra can be modeled as a single-porosity medium where only the advective porosity participates in transport. Field tracer tests conducted in the Culebra show strong double-porosity behavior that is best explained using a multiple-rate model.

Disposal of high-level radioactive wastes is a major environmental problem influencing further development of nuclear energy in this country. Salt domes in the Gulf Coast Basin are being investigated as repository sites. A major concern is geologic and hydrologic stability of candidate domes and potential transport of radionuclides by groundwater to the biosphere prior to their degradation to harmless levels of activity. This report conceptualizes a regional geohydrologic model for transport of radionuclides from a salt dome repository. The model considers transport pathways and the physical and chemical changes that would occur through time prior to the radionuclides reaching the biosphere. Necessary, but unknown inputs to the regional model involve entry and movement of fluids through the repository dome and across the dome-country rock interface and the effect on the dome and surrounding strata of heat generated by the radioactive wastes.

We apply a multi-component reactive transport lattice Boltzmann model developed in previolls studies to modeling the injection of a C02 saturated brine into various porous media structures at temperature T=25 and 80 C. The porous media are originally consisted of calcite. A chemical system consisting of Na+, Ca2+, Mg2+, H+, CO2(aq), and CI-is considered. The fluid flow, advection and diHusion of aqueous species, homogeneous reactions occurring in the bulk fluid, as weB as the dissolution of calcite and precipitation of dolomite are simulated at the pore scale. The effects of porous media structure on reactive transport are investigated. The results are compared with continuum scale modeling and the agreement and discrepancy are discussed. This work may shed some light on the fundamental physics occurring at the pore scale for reactive transport involved in geologic C02 sequestration.

Analytical solutions for benchmarking cold regions subsurface water flow and energy transport Freezing and thawing a b s t r a c t Numerous cold regions water flow and energy transportmodels have of powerful simulators of cold regions subsurface water flow and energy transport have emerged in recent years

colleagues suggests that without this heat transport the globe would freeze over, [Winton, 2003Sensitivity of water mass transformation and heat transport to subgridscale mixing in coarse of subgridscale mixing on ocean heat transport in coarse- resolution ocean models of the type used in coupled

We formulate a new model for transport in stochastic media with long-range spatial correlations where exponential attenuation (controlling the propagation part of the transport) becomes power law. Direct transmission over optical distance $\\tau(s)$, for fixed physical distance $s$, thus becomes $(1+\\tau(s)/a)^{-a}$, with standard exponential decay recovered when $a\\to\\infty$. Atmospheric turbulence phenomenology for fluctuating optical properties rationalizes this switch. Foundational equations for this generalized transportmodel are stated in integral form for $d=1,2,3$ spatial dimensions. A deterministic numerical solution is developed in $d=1$ using Markov Chain formalism, verified with Monte Carlo, and used to investigate internal radiation fields. Standard two-stream theory, where diffusion is exact, is recovered when $a=\\infty$. Differential diffusion equations are not presently known when $atransport equation. Monte Carlo simulations are performed in $d=2$, as a model for transport on random surfaces, to explore scaling behavior of transmittance $T$ when transport optical thickness $\\tau_\\text{t} \\gg 1$. Random walk theory correctly predicts $T \\propto \\tau_\\text{t}^{-\\min\\{1,a/2\\}}$ in the absence of absorption. Finally, single scattering theory in $d=3$ highlights the model's violation of angular reciprocity when $atransport theory, namely, that we must distinguish more carefully between two kinds of propagation: one that ends in a virtual or actual detection, the other in a transition from one position to another in the medium.

We perform transportmodel calculations for central collisions of mass 120 on mass 120 at laboratory beam energy in the range 20 MeV/nucleon to 200 MeV/nucleon. A simplified yet accurate method allows calculation of fluctuations in systems much larger than what was considered feasible in a well-known and already existing model. The calculations produce clusters. The distribution of clusters is remarkably similar to that obtained in equilibrium statistical model.

We perform transportmodel calculations for central collisions of mass 120 on mass 120 at laboratory beam energy in the range 20 MeV/nucleon to 200 MeV/nucleon. A simplified yet accurate method allows calculation of fluctuations in systems much larger than what was considered feasible in a well-known and already existing model. The calculations produce clusters. The distribution of clusters is remarkably similar to that obtained in equilibrium statistical model.

We develop a mathematical model that captures the transport of liquid water in hardened concrete, as well as the chemical reactions that occur between the infiltrating water and the residual calcium silicate compounds that reside in the porous concrete matrix. We investigate the hypothesis that the reaction product -- calcium silicate hydrate gel -- clogs the pores within the concrete thereby hindering water transport. Using numerical simulations, we determine the sensitivity of the model solution to changes in various physical parameters, and compare to experimental results available in the literature.

into groundwater aquifers for long term energy storage. Analytical solutions are available that predict water temperatures as hot water is injected into a groundwater aquifer, but little field and laboratory data are available to verify these models. The objectives...

to model the solid state diffusion behavior in several generated electrode morphologies. Developed computational codes were used to generate targeted structures under prescribed conditions of particle shape, size, and overall morphology. The diffusion...

Discharges for magnetron sputter thin film deposition systems involve complex plasmas that are sensitively dependent on magnetic field configuration and strength, working gas species and pressure, chamber geometry, and discharge power. The authors present a numerical formulation for the general solution of these plasmas as a component of a comprehensive simulation capability for planar magnetron sputtering. This is an extensible, fully three-dimensional model supporting realistic magnetic fields and is self-consistently solvable on a desktop computer. The plasma model features a hybrid approach involving a Monte Carlo treatment of energetic electrons and ions, along with a coupled fluid model for thermalized particles. Validation against a well-known one-dimensional system is presented. Various strategies for improving numerical stability are investigated as is the sensitivity of the solution to various model and process parameters. In particular, the effect of magnetic field, argon gas pressure, and discharge power are studied.

into groundwater aquifers for long term energy storage. Analytical solutions are available that predict water temperatures as hot water is injected into a groundwater aquifer, but little field and laboratory data are available to verify these models. The objectives...

Using the Isospin Quantum Molecular Dynamics (IQMD) model we analyzed the production of pions and kaons in the energy range of 1-2 AGeV in order to study the question why thermal models could achieve a successful description. For this purpose we study the variation of pion and kaon yields using different elementary cross sections. We show that several ratios appear to be rather robust versus their variations.

The radiative transfer equation describes the propagation of radiation through a material medium. While it provides a highly accurate description of the radiation field, the large phase space on which the equation is defined makes it numerically challenging. As a consequence, significant effort has gone into the development of accurate approximation methods. Recently, an extended quadrature method of moments (EQMOM) has been developed to solve univariate population balance equations, which also have a large phase space and thus face similar computational challenges. The distinct advantage of the EQMOM approach over other moment methods is that it generates moment equations that are consistent with a positive phase space density and has a moment inversion algorithm that is fast and efficient. The goal of the current paper is to present the EQMOM method in the context of radiation transport, to discuss advantages and disadvantages, and to demonstrate its performance on a set of standard one-dimensional benchmark problems that encompass optically thin, thick, and transition regimes. Special attention is given in the implementation to the issue of realizability—that is, consistency with a positive phase space density. Numerical results in one dimension are promising and lay the foundation for extending the same framework to multiple dimensions.

Turbulent CO/H{sub 2}/N{sub 2} (“syngas”) flames are simulated using a transported composition probability density function (PDF) method. A consistent hybrid Lagrangian particle/Eulerian mesh algorithm is used to solve the modeled PDF transport equation. The model includes standard k–? turbulence, gradient transport for scalars, and Euclidean minimum spanning tree (EMST) mixing. Sensitivities of model results to variations in the turbulence model, the treatment of radiation heat transfer, the choice of chemical mechanism, and the PDF mixing model are explored. A baseline model reproduces the measured mean and rms temperature, major species, and minor species profiles reasonably well, and captures the scaling that is observed in the experiments. Both our results and the literature suggest that further improvements can be realized with adjustments in the turbulence model, the radiation heat transfer model, and the chemical mechanism. Although radiation effects are relatively small in these flames, consideration of radiation is important for accurate NO prediction. Chemical mechanisms that have been developed specifically for fuels with high concentrations of CO and H{sub 2} perform better than a methane mechanism that was not designed for this purpose. It is important to account explicitly for turbulence–chemistry interactions, although the details of the mixing model do not make a large difference in the results, within reasonable limits.

Component level and system level abstraction of detailed computational geologic repository models have resulted in four rapid computational models of hydrologic radionuclide transport at varying levels of detail. Those models are described, as is their implementation in Cyder, a software library of interchangeable radionuclide transportmodels appropriate for representing natural and engineered barrier components of generic geology repository concepts. A proof of principle demonstration was also conducted in which these models were used to represent the natural and engineered barrier components of a repository concept in a reducing, homogenous, generic geology. This base case demonstrates integration of the Cyder open source library with the Cyclus computational fuel cycle systems analysis platform to facilitate calculation of repository performance metrics with respect to fuel cycle choices. (authors)

The resonance scattering transfer cross-section has been reformulated to account for anisotropic scattering in the center-of-mass of the neutron-nucleus system. The main innovation over previous implementations is the relaxation of the ubiquitous assumption of isotropic scattering in the center-of-mass and the actual effective use of scattering angle distributions from evaluated nuclear data files in the computation of the angular moments of the resonant scattering kernels. The formulas for the high order anisotropic moments in the laboratory system are also derived. A multi-group numerical formulation is derived and implemented into a module incorporated within the NJOY nuclear data processing code. An ultra-fine energy mesh cross section library was generated using these new theoretical models and then was used for fuel assembly calculations with the PARAGON lattice physics code. The results obtained indicate a strong effect of this new model on reactivity, multi-group fluxes and isotopic inventory during depletion.

. It is apparent from Figure 1 and the above-mentioned variance analysis that (1) the relationship between variance and time does not simply follow a power law, although approximate power-law relations may be found in some cases; and (2) a polynomial equation... with a variable power index can best describe the relation between vari- ance and time. These characteristics of the variance of observed concentration distributions are difficult to predict using existing integer-order models. In fact, the infinite...

We study thermoelectric conductivities and shear viscosities in a holographically anisotropic model. Momentum relaxation is realized through perturbing the linear axion field. AC conductivity exhibits a conherent/incoherent metal transition. The longitudinal shear viscosity for prolate anisotropy violates the bound conjectured by Kovtun-Son-Starinets. We also find that thermodynamic and dynamical instabilities are not always equivalent, which provides a counter example of the Gubser-Mitra conjecture.

We present a technique to control chaos in Hamiltonian systems which are close to integrable. By adding a small and simple control term to the perturbation, the system becomes more regular than the original one. We apply this technique to a model that reproduces turbulent ExB drift and show numerically that the control is able to drastically reduce chaotic transport.

Reduced Order Model Compensator Control of Species Transport in a CVD Reactor G.M. Kepler, H for computation of feedback controls and compensators in a high pressure chemical vapor deposition (HPCVD) reactor University to design and build such a HPCVD reactor with realÂ­time sensing and control as an innovative

A mixed finite-element scheme of a semiconductor energy-transportmodel using dual entropy which are able to deal with physical effects such as carrier heating and velocity overshoot. The energy that the Joule heating term vanishes if the dual entropy variables w1 = (Âµ - V )/T and w2 = -1/T are employed

is derived to represent conditions found in alternating current ac impedance conductivity measurements the conditions of ac impedance conductivity measurements. Using em- pirically fitted transport parameters dynamic models required for fundamental simulation of in situ processes that are difficult to ob- serve

This report describes a three-dimensional finite-difference model (SWIFT) which is used to simulate flow and transport processes in geologic media. The model was developed for use by the Nuclear Regulatory Commission in the analysis of deep geologic nuclear waste-disposal facilities. This document, as indicated by the title, is a user's manual and is intended to facilitate the use of the SWIFT simulator. Mathematical equations, submodels, application notes, and a description of the program itself are given herein. In addition, a complete input data guide is given along with several appendices which are helpful in setting up a data-input deck. Computer code SWIFT (Sandia Waste Isolation, Flow and TransportModel) is a fully transient, three-dimensional model which solves the coupled equations for transport in geologic media. The processes considered are: (1) fluid flow; (2) heat transport; (3) dominant-species miscible displacement; and (4) trace-species miscible displacement. The first three processes are coupled via fluid density and viscosity. Together they provide the velocity field on which the fourth process depends.

; revised 3 January 2005; accepted 21 January 2005; published 13 May 2005. [1] Bioremediation can be a cost-dimensional reactive transportmodeling of carbon tetrachloride (CT) bioremediation at the Schoolcraft site in western success- ful application of bioremediation has been documented at several sites containing chlorinated

such as dispersion of pollutants, biological species, and sediments. Forecasting of the Lagrangian pathways of the dispersion of pollutants, biological species, and sediments. At the basis of such applications is the transA Lagrangian subgridscale model for particle transport improvement and application in the Adriatic

COMSOL Modeling of Groundwater Flow and Contaminant Transport in Two-Dimensional Geometries, Environmental Sys- tems. 1 Introduction Groundwater contributes an large portion of stream flow and subsequently% of a streams nitrogen load has been discharged from groundwater. The surficial aquifer geometry in this area

A surface impoundment model in finite element (SIMFE) is presented to enable the simulation of flow circulations and pollutant transport and dispersion in natural or artificial lakes, reservoirs or ponds with any number of islands. This surface impoundment model consists of two sub-models: hydrodynamic and pollutant transportmodels. Both submodels are simulated by the finite element method. While the hydrodynamic model is solved by the standard Galerkin finite element scheme, the pollutant transportmodel can be solved by any of the twelve optional finite element schemes built in the program. Theoretical approximations and the numerical algorithm of SIMFE are described. Detail instruction of the application are given and listing of FORTRAN IV source program are provided. Two sample problems are given. One is for an idealized system with a known solution to show the accuracy and partial validation of the models. The other is applied to Prairie Island for a set of hypothetical input data, typifying a class of problems to which SIMFE may be applied.

The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transportmodels are needed. State-of-the-art reactive transportmodels often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transportmodel using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species, multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transportmodel (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The modeling system is designed in such a way that constraint-based models targeting different microorganisms or competing organism communities can be easily plugged into the system. Constraint-based modeling is very costly given the size of a genome-scale reaction network. To save computation time, a binary tree is traversed to examine the concentration and solution pool generated during the simulation in order to decide whether the constraint-based model should be called. We also show preliminary results from the integrated model including a comparison of the direct and indirect coupling approaches.

In a companion paper, a self-consistent transport-theoretic model for the combined electron-proton-hydrogen atom aurora was described. In this paper, numberical results based on the model are presented. This is done for the pure electron aurora, the pure proton-hydrogen atom aurora, and finally for the combined aurora. Adopting commonly used types of energy distributions for the incident particle (electron and proton) fluxes, the authors give numerical solutions for the precipitating electron, proton, and hydrogen atom differential number fluxes. Results are also given for ionization yields and emission yields of the following features: N{sub 2}{sup +} first negative group (3914 {Angstrom}), N{sub 2} second positive group (3371 {Angstrom}), selected N{sub 2} Lyman-Birge-Hopfields bands (1325, 1354, 1383, 1493, and all bands between 1700 and 1800 {Angstrom}), O I (1356 {Angstrom}), L{sub {alpha}} (1216 {Angstrom}), H{sub {beta}} (4861 {Angstrom}), and H{sub {alpha}} (6563 {Angstrom}). The yield at 1493 {Angstrom} also contains a contribution from N I (1493 {Angstrom}), which in fact dominates LBH emission. A major new result of this study is that the secondary electron flux produced by the proton-hydrogen atom aurora is much softer than that produced by the electron aurora. This increased softness is due to the fact that (for energies of aurora interest) cross sections for secondary electron flux produced by the proton-hydrogen atom aurora is much softer than that produced by the electron aurora. This increased softness is due to the fact that (for energies of auroral interest) cross sections for secondary electron production by proton and hydrogen atom impact decrease exponentially with increasing secondary electron energy, whereas the cross sections for electron impact decrease as an inverse power law with increasing secondary energy.

Quantum effects in biological light-harvesting molecules, such as quantum coherence of excitonic states and entanglement have recently gained much attention. We observe a certain discrepancy between the original experimental work and several theoretical treatments of coherent excitation transport in light-harvesting molecules. Contrary to what is generally stated, we argue that entanglement in such molecules is generally not equivalent to the presence of coherence but mostly introduced by initial assumptions underlying the models, and that entanglement, as opposite to coherence, seems to play no role in the transport efficiency.

The linear and nonlinear versions of the Canonical Profiles TransportModel (CPTM), which includes both heat and particle transport equations, are used to simulate core and pedestal plasma for JET, and MAST H-mode shots. Simulations by the nonlinear version show reasonable agreement with experiment for both ELMy and ELM-free shots. RMS deviations of calculated results from the experimental ones are on the level 10-12% in main. The calculated ion and electron temperature profiles are very insensitive to the change of the deposited peaked power profiles. The calculated pedestal temperature rapidly increases with plasma current; density profile peaking increases at low collisionalities.

A distributed, scaleable architecture for the modeling and simulation of Intelligent Transportation Systems on a network of workstations or a parallel computer has been developed at Argonne National Laboratory. The resulting capability provides a modular framework supporting plug-in models, hardware, and live data sources; visually realistic graphics displays to support training and human factors studies; and a set of basic ITS models. The models and capabilities are described, along with atypical scenario involving dynamic rerouting of smart vehicles which send probe reports to and receive traffic advisories from a traffic management center capable of incident detection.

Pacific Northwest National Laboratory (PNNL) embarked on a new initiative to strengthen the technical defensibility of the predictions being made with a site-wide groundwater flow and transportmodel at the U.S. Department of Energy Hanford Site in southeastern Washington State. In FY 2000, the focus of the initiative was on the characterization of major uncertainties in the current conceptual model that would affect model predictions. The long-term goals of the initiative are the development and implementation of an uncertainty estimation methodology in future assessments and analyses using the site-wide model. This report focuses on the development and implementation of an uncertainty analysis framework.

We consider a heat conduction model introduced in \\cite{Collet-Eckmann 2009}. This is an open system in which particles exchange momentum with a row of (fixed) scatterers. We assume simplified bath conditions throughout, and give a qualitative description of the dynamics extrapolating from the case of a single particle for which we have a fairly clear understanding. The main phenomenon discussed is {\\it freezing}, or the slowing down of particles with time. As particle number is conserved, this means fewer collisions per unit time, and less contact with the baths; in other words, the conductor becomes less effective. Careful numerical documentation of freezing is provided, and a theoretical explanation is proposed. Freezing being an extremely slow process, however, the system behaves as though it is in a steady state for long durations. Quantities such as energy and fluxes are studied, and are found to have curious relationships with particle density.

A model was developed to study engine oil vaporization and oil vapor transport in the piston ring pack of internal combustion engines. With the assumption that the multi-grade oil can be modeled as a compound of several ...

When a fuel cell is operating at high current density, water accumulation is a significant cause of performance and component degradation. Investigating the water transport inside the fuel cell is a challenging task due to opacity of the components, the randomness of the porous materials, and the difficulty in gain access to the interior for measurement due to the small dimensions of components. Numerical simulation can provide a good insight of the evolution of the water transport under different working condition. However, the validation of those simulations is remains an issue due the same experimental obstacles associated with in-situ measurements. The discussion herein will focus on pore-network modeling of the water transport on the PTL and the insights gained from simulations as well as in the validation technique. The implications of a recently published criterion to characterize PTL, based on percolation theory, and validate numerical simulation are discussed.

In this paper we develop and examine several schemes for combining daily images obtained from the Sea-viewing Wide Field Spectrometer (SeaWiFS) with a two-dimensional sediment transportmodel of Lake Michigan. We consider two data assimilation methods, direct insertion and a kriging-based approach, and perform a forecasting study focused on a 2-month period in spring 1998 when a large storm caused substantial amounts of sediment resuspension and horizontal sediment transport in the lake. By beginning with the simplest possible forecast method and sequentially adding complexity we are able to assess the improvements offered by combining the satellite data with the numerical model. In our application, we find that data assimilation schemes that include both the data and the lake dynamics improve forecast root mean square error by 40% over purely model-based approaches and by 20% over purely data-based approaches.

We study stellar convection using a local three-dimensional MHD model, with which we investigate the influence of rotation and large-scale magnetic fields on the turbulent momentum and heat transport. The former is studied by computing the Reynolds stresses, the latter by calculating the correlation of velocity and temperature fluctuations, both as functions of rotation and latitude. We find that the horisontal correlation, Q_(theta phi), capable of generating horisontal differential rotation, is mostly negative in the southern hemisphere for Coriolis numbers exceeding unity, corresponding to equatorward flux of angular momentum in accordance with solar observations. The radial component Q_(r phi) is negative for slow and intermediate rotation indicating inward transport of angular momentum, while for rapid rotation, the transport occurs outwards. Parametrisation in terms of the mean-field Lambda-effect shows qualitative agreement with the turbulence model of Kichatinov & R\\"udiger (1993) for the horisontal part H \\propto Q_(theta phi)/cos(theta), whereas for the vertical part, V \\propto Q_(r phi)/sin(theta), agreement only for intermediate rotation exists. The Lambda-coefficients become suppressed in the limit of rapid rotation, this rotational quenching being stronger for the V component than for H. We find that the stresses are enhanced by the presence of the magnetic field for field strengths up to and above the equipartition value, without significant quenching. Concerning the turbulent heat transport, our calculations show that the transport in the radial direction is most efficient at the equatorial regions, obtains a minimum at midlatitudes, and shows a slight increase towards the poles. The latitudinal heat transport does not show a systematic trend as function of latitude or rotation.

An analytical description of the charge carrier transport, valid for non-degenerated and degenerated semiconductors, was developed, critically reviewed, and fitted to the temperature-dependent Hall mobility data of magnetron sputtered, degenerately doped ZnO:Al films. Our extended model for grain boundary scattering in semiconductors of arbitrary degeneracy is based on previous models from literature and suitable to describe the Hall mobility of the carriers as a function of the free carrier concentration and the temperature at the same time. It is mathematically simple enough for a fast fit procedure, which is not possible with most of the previous models. Applying a combined transportmodel consisting of ionized impurity scattering, phonon scattering, and grain boundary scattering in degenerate semiconductors, we were able to determine the trap density at the grain boundaries N{sub t} ? 3?×?10{sup 13} to 5?×?10{sup 13?}cm{sup ?2} and the deformation potential E{sub ac} in the range of 5?eV to 9?eV depending on the details of the transportmodel.

MURAD, SOHAIL [University of Illinois at Chicago] [University of Illinois at Chicago; JAMESON, CYNTHIA J [University of Illinois at Chicago] [University of Illinois at Chicago

2013-10-22T23:59:59.000Z

During the this new grant we developed a robust methodology for investigating a wide range of properties of phospho-lipid bilayers. The approach developed is unique because despite using periodic boundary conditions, we can simulate an entire experiment or process in detail. For example, we can follow the entire permeation process in a lipid-membrane. This includes transport from the bulk aqueous phase to the lipid surface; permeation into the lipid; transport inside the lipid; and transport out of the lipid to the bulk aqueous phase again. We studied the transport of small gases in both the lipid itself and in model protein channels. In addition, we have examined the transport of nanocrystals through the lipid membrane, with the main goal of understanding the mechanical behavior of lipids under stress including water and ion leakage and lipid flip flop. Finally we have also examined in detail the deformation of lipids when under the influence of external fields, both mechanical and electrostatic (currently in progress). The important observations and conclusions from our studies are described in the main text of the report

The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.

In this study, new elements were developed to generalize the dual-porosity model for moisture infiltration on and solute transport in unsaturated rocks, taking into account fractal aspects of the percolation process. Random advection was considered as a basic mechanism of solute transport in self-similar fracture systems. In addition to spatial variations in the infiltration velocity field, temporal fluctuations were also taken into account. The rock matrix, a low-permeability component of the heterogeneous geologic medium, acts as a trap for solute particles and moisture. Scaling relations were derived for the moisture infiltration flux, the velocity correlation length, the average velocity of infiltration, and the velocity correlation function. The effect of temporal variations in precipitation intensity on the infiltration processes was analyzed. It showed that the mode of solute transport is determined by the power exponent in the advection velocity correlation function and the dimensionality of the trapping system, both of which may change with time. Therefore, depending on time, various transport regimes may be realized: superdiffusion, subdiffusion, or classical diffusion. The complex structure of breakthrough curves from changes in the transport regimes was also examined. A renormalization of the solute source strength due to characteristic fluctuations of highly disordered media was established.

The major mechanisms of radioactive material transport and fate in surface water are (1) sources, (2) dilution, advection and dispersion of radionuclides by flow and surface waves, (3) radionuclide decay, and (4) interaction between sediment and radionuclides. STREAM II, an aqueous transport module of the Savannah River Site emergency response WIND system, accounts for the source term, and the effects of dilution, advection and dispersion. Although the model has the capability to account for nuclear decay, due to the short time interval of interest for emergency response, the effect of nuclear decay is very small and so it is not employed. The interactions between the sediment and radionuclides are controlled by the flow conditions and physical and chemical characteristics of the radionuclides and the sediment constituents. The STREAM II version used in emergency response does not model the effects of sediment deposition/resuspension to minimize computing time. This study estimates the effects of sediment deposition/resuspension on radionuclide aqueous transport. For radionuclides that adsorb onto suspended sediment, the omission of deposition/resuspension effects overestimates the downstream radionuclide peak concentration and is therefore conservative. For the case of cesium transport in the Fourmile Branch, the calculated reduction in peak concentration as the cesium is transported downstream is greater with sediment deposition modeled than without. For example, including the effects of sediment deposition/resuspension in the STREAM II calculation results in a 72 percent reduction in the downstream (5075 meters downstream from H-Area) peak cesium concentration. It is important to note that the high partition coefficient appropriate for cesium enhances the importance of sediment deposition/resuspension; the reduction in the calculated peak concentration would be less for radioisotopes with lower partition coefficients.

We describe how to apply the transport method to compute inflationary observables in a broad range of multiple-field models. The method is efficient and encompasses scenarios with curved field-space metrics, violations of slow-roll conditions and turns of the trajectory in field space. It can be used for an arbitrary mass spectrum, including massive modes and models with quasi-single-field dynamics. In this note we focus on practical issues. It is accompanied by a Mathematica code which can be used to explore suitable models, or as a basis for further development.

We describe how to apply the transport method to compute inflationary observables in a broad range of multiple-field models. The method is efficient and encompasses scenarios with curved field-space metrics, violations of slow-roll conditions and turns of the trajectory in field space. It can be used for an arbitrary mass spectrum, including massive modes and models with quasi-single-field dynamics. In this note we focus on practical issues. It is accompanied by a Mathematica code which can be used to explore suitable models, or as a basis for further development.

The goal of this research was to provide a tool for regulators to evaluate the groundwater contamination from the use of virgin and secondary materials in road construction. A finite element model, HYDRUS2D, was used to evaluate generic scenarios for secondary material use in base layers. Use of generic model results for particular applications was demonstrated through a steel slag example. The hydrology and reactive transport of contaminants were modeled in a two-dimensional cross section of a road. Model simulations showed that in an intact pavement, lateral velocities from the edge towards the centerline may transport contaminants in the base layer. The dominant transport mechanisms are advection closer to the edge and diffusion closer to the centerline. A shoulder joint in the pavement allows 0.03 to 0.45 m{sup 3}/day of infiltration per meter of joint length as a function of the base and subgrade hydrology and the rain intensity. Scenario simulations showed that salts in the base layer of pavements are depleted by 99% in the first 20 years, whereas the metals may not reach the groundwater in 20 years at any significant concentrations if the pavement is built on adsorbing soils.

A chemistry-transportmodel (CTM) intercomparison experiment (TransCom-CH?) has been designed to investigate the roles of surface emissions, transport and chemical loss in simulating the global methane distribution. Model ...

During fiscal year 2000, a series of studies in support of the Defense Threat Reduction Agency (DTRA) was begun. The goal of these studies is to improve the verification, validation, and accreditation (VV&A) of hazard prediction and assessment models and capabilities. These studies are part of a larger joint VV&A collaborative effort that DTRA and the Department of Energy (DOE), via the Lawrence Livermore National Laboratory (LLNL), are conducting. This joint effort includes comparisons of the LLNL and DTRA transport and dispersion (T&D) modeling systems, NARAC and HPAC, respectively. The purpose of this work is to compare, in a systematic way, HPAC and NARAC model predictions for a set of controlled hypothetical release scenarios. Only ''model-versus-model'' comparisons are addressed in this work. Model-to-field trial comparisons for HPAC and NARAC have been addressed in a recent companion study, in support of the same joint VV&A effort.

(RHIC) have provided important information on the properties of produced quark-gluon plasma (QGP) [1?4]. In particular, the large elliptic flow observed in experiments has led to the conclusion that the produced quark-gluon plasma is strongly...,10]. With the large parton scattering cross section, the transportmodel is also able to describe the hexadecupole flow measured at RHIC [11]. More recently, the importance of the triangular flow, which originates from fluctuations in the initial collision...

The Savannah River Site (SRS), operates a number of sites for the land disposal of various leachable radionuclide, organic, and inorganic wastes. Located within the General Separations Area (GSA) of SRS are the Low Level Radioactive Waste Disposal Facility (LLRWDF) and the Old Burial Ground (OBG). A portion of the LLRWDF has been designated as the Mixed Waste Management Facility (MWMF). The OBG began receiving waste in 1952 and was closed in 1974. Various wastes, including transuranic, intermediate and low level beta-gamma, and solvents, were received during this period of operation. In 1969, prior to the closing of the OBG, a portion of the MWMF/LLRWDF (the MWMF) began receiving waste. GeoTrans, Inc. was contracted by WSRC to conduct a numerical modeling study to assess groundwater flow and contaminant transport in the vicinity of the MWMF in support of an Alternate Concentration Limits demonstration for the Part B permit. The project was divided into two phases: development of a groundwater flow model of the hydrogeologic system underlying the MWMF which includes the entire GSA, and development of a solute transportmodel to assess migration of 19 designated constituents of concern (COCs) over a period 30 years into the future. The first phase was completed in May of 1992 and the results documented in GeoTrans (1992). That report serves as the companion volume to the present contaminant transportmodeling report. The transport study is intended to develop predictions of concentration and mass flux of the 19 COCs at downgradient exposure points over the 30 year period of interest. These results are to be used in human health and ecological risk assessments which are also being performed in support of the Part B permit.

We examine the response of Arctic gas and aerosol concentrations to perturbations in pollutant emissions from Europe, East and South Asia, and North America using results from a coordinated model intercomparison. These sensitivities to regional emissions (mixing ratio change per unit emission) vary widely across models and species. Intermodel differences are systematic, however, so that the relative importance of different regions is robust. North America contributes the most to Arctic ozone pollution. For aerosols and CO, European emissions dominate at the Arctic surface but East Asian emissions become progressively more important with altitude, and are dominant in the upper troposphere. Sensitivities show strong seasonality: surface sensitivities typically maximize during boreal winter for European and during spring for East Asian and North American emissions. Mid-tropospheric sensitivities, however, nearly always maximize during spring or summer for all regions. Deposition of black carbon (BC) onto Greenland is most sensitive to North American emissions. North America and Europe each contribute {approx}40% of total BC deposition to Greenland, with {approx}20% from East Asia. Elsewhere in the Arctic, both sensitivity and total BC deposition are dominated by European emissions. Model diversity for aerosols is especially large, resulting primarily from differences in aerosol physical and chemical processing (including removal). Comparison of modeled aerosol concentrations with observations indicates problems in the models, and perhaps, interpretation of the measurements. For gas phase pollutants such as CO and O{sub 3}, which are relatively well-simulated, the processes contributing most to uncertainties depend on the source region and altitude examined. Uncertainties in the Arctic surface CO response to emissions perturbations are dominated by emissions for East Asian sources, while uncertainties in transport, emissions, and oxidation are comparable for European and North American sources. At higher levels, model-to-model variations in transport and oxidation are most important. Differences in photochemistry appear to play the largest role in the intermodel variations in Arctic ozone sensitivity, though transport also contributes substantially in the mid-troposphere.

A model for transient interzone heat and air flow transport in passive solar buildings is presented incorporating wall boundary layers in stratified zones, and with interzone transport via apertures (doors and windows). The model includes features that have been observed in measurements taken in more than a dozen passive solar buildings. The model includes integral formulations of the laminar and turbulent boundary layer equations for the vertical walls which are then coupled to a one-dimensional core model for each zone. The cores in each zone exchange mass and energy through apertures that are modeled by an orifice type equation. The procedure is transient in that time dependence is retained only in the core equations which are solved by an explicit method. The model predicts room stratification of about 2/sup 0/C/m (1.1/sup 0/F/ft) for a room-to-room temperature difference of 0.56/sup 0/C(1/sup 0/F) which is in general agreement with the data.

A model for transient interzone heat and air flow transport in passive solar buildings is presented incorporating wall boundary layers in stratified zones, and with interzone transport via apertures (doors and windows). The model includes features that have been observed in measurements taken in more than a dozen passive solar buildings. The model includes integral formulations of the laminar and turbulent boundary layer equations for the vertical walls which are then coupled to a one-dimensional core model for each zone. The cores in each zone exchange mass and energy through apertures that are modeled by an orifice type equation. The procedure is transient in that time dependence is retained only in the core equations which are solved by an explicit method. The model predicts room stratification of about 2/sup 0/C/m (1.1/sup 0/F/ft) for a room-to-room temperature difference of 0.56/sup 0/C(1/sup 0/F) which is in general agreement with the data. 38 references, 10 figures, 1 table.

Following is a brief summary of the assumptions that are pertinent to the radioactive isotope transport in the GoldSim Performance Assessment model of the Area 5 Radioactive Waste Management Site, with special emphasis on the water-phase reactive transport of uranium, which includes depleted uranium products.

Discrete maps have been extensively used to model 2-dimensional chaotic transport in plasmas and fluids. Here we focus on area-preserving maps describing finite Larmor radius (FLR) effects on ${\\bf E} \\times {\\bf B}$ chaotic transport in magnetized plasmas with zonal flows perturbed by electrostatic drift waves. FLR effects are included by gyro-averaging the Hamiltonians of the maps which, depending on the zonal flow profile, can have monotonic or non-monotonic frequencies. In the limit of zero Larmor radius, the monotonic frequency map reduces to the standard Chirikov-Taylor map, and, in the case of non-monotonic frequency, the map reduces to the standard nontwist map. We show that in both cases FLR leads to chaos suppression, changes in the stability of fixed points, and robustness of transport barriers. FLR effects are also responsible for changes in the phase space topology and zonal flow bifurcations. Dynamical systems methods based on recurrence time statistics are used to quantify the dependence on the Larmor radius of the threshold for the destruction of transport barriers.

We revisit critically the recent claims, inspired by quantum optics and quantum information, that there is entanglement in the biological pigment protein complexes, and that it is responsible for the high transport efficiency. While unexpectedly long coherence times were experimentally demonstrated, the existence of entanglement is, at the moment, a purely theoretical conjecture; it is this conjecture that we analyze. As demonstrated by a toy model, a similar transport phenomenology can be obtained without generating entanglement. Furthermore, we also argue that even if entanglement does exist, it is purely incidental and seems to plays no essential role for the transport efficiency. We emphasize that our paper is not a proof that entanglement does not exist in light-harvesting complexes - this would require a knowledge of the system and its parameters well beyond the state of the art. Rather, we present a counter-example to the recent claims of entanglement, showing that the arguments, as they stand at the moment, are not sufficiently justified and hence cannot be taken as proof for the existence of entanglement, let alone of its essential role, in the excitation transport.

Soil Screening Levels (SSLs) are threshold concentrations below which there is no concern for the migration of residual soil contaminants to the aquifer above maximum contaminant levels (MCLs). At sites where contaminant concentrations exceed SSLs, further study maybe warranted under the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA). SSLs are based upon simplified fate and transport assumptions, but the guidance allows the flexibility to develop a detailed modeling approach that accounts for complex site variables such as degradation and thickness of the vadose zone. The distinct advantage of the detailed modeling is that individual sites may calculate a less restrictive, but still protective SSL. A Multi-Layer Vadose Zone Contaminant Migration Model [VZCOMML(C)] was developed at the Savannah River Site to allay the higher costs of detailed modeling and achieve a higher clean-up level. The software model is faster, simpler, and less expensive to us e than other commercially available codes.

A scalable, distributed modeling and simulation framework has been developed at Argonne National Laboratory to study Intelligent Transportation Systems. The framework can run on a single-processor workstation, or run distributed on a multiprocessor computer or network of workstations. The framework is modular and supports plug-in models, hardware, and live data sources. The initial set of models currently includes road network and traffic flow, probe and smart vehicles, traffic management centers, communications between vehicles and centers, in-vehicle navigation systems, roadway traffic advisories. The modeling and simulation capability has been used to examine proposed ITS concepts. Results are presented from modeling scenarios from the Advanced Driver and Vehicle Advisory Navigation Concept (ADVANCE) experimental program to demonstrate how the framework can be used to evaluate the benefits of ITS and to plan future ITS operational tests and deployment initiatives.

We have obtained a new set of parameters in a multiphase transport (AMPT) model that are able to describe both the charged particle multiplicity density and elliptic flow measured in Au+Au collisions at center of mass energy $\\sqrt{s_{NN}}=200$ GeV at the Relativistic Heavy Ion Collider (RHIC), although they still give somewhat softer transverse momentum spectra. We then use the model to predict the triangular flow due to fluctuations in the initial collision geometry and study its effect relative to those from other harmonic components of anisotropic flows on the di-hadron azimuthal correlations in both central and mid-central collisions.

This project successfully accomplished its goal of coupling genome-scale metabolic models with hydrological and geochemical models to predict the activity of subsurface microorganisms during uranium bioremediation. Furthermore, it was demonstrated how this modeling approach can be used to develop new strategies to optimize bioremediation. The approach of coupling genome-scale metabolic models with reactive transportmodeling is now well enough established that it has been adopted by other DOE investigators studying uranium bioremediation. Furthermore, the basic principles developed during our studies will be applicable to much broader investigations of microbial activities, not only for other types of bioremediation, but microbial metabolism in diversity of environments. This approach has the potential to make an important contribution to predicting the impact of environmental perturbations on the cycling of carbon and other biogeochemical cycles.

This thesis presents an application of the Grant-Madsen-Glenn bottom boundary layer model (Grant and Madsen, 1979; Glenn and Grant, 1987) to predictions of sediment transport on the continental shelf. The analysis is a ...

Numerical modeling of mixed sediment resuspension, transport, and deposition during the March 1998 sediment resuspension of mixed (cohesive plus noncohesive) sediment is developed and applied to quantitatively simulate the March 1998 resuspension events in southern Lake Michigan. Some characteristics

Early research points to large potential impacts of connected and automated vehicles (CAVs) on transportation energy use - dramatic savings, increased use, or anything in between. Due to a lack of suitable data and integrated modeling tools to explore these complex future systems, analyses to date have relied on simple combinations of isolated effects. This poster proposes a framework for modeling the potential energy implications from increasing penetration of CAV technologies and for assessing technology and policy options to steer them toward favorable energy outcomes. Current CAV modeling challenges include estimating behavior change, understanding potential vehicle-to-vehicle interactions, and assessing traffic flow and vehicle use under different automation scenarios. To bridge these gaps and develop a picture of potential future automated systems, NREL is integrating existing modeling capabilities with additional tools and data inputs to create a more fully integrated CAV assessment toolkit.

Simulations of a high-confinement-mode (H-mode) tokamak discharge with infrequent giant type-I ELMs are performed by the multi-fluid, multi-species, two-dimensional transport code UEDGE-MB, which incorporates the Macro-Blob approach for intermittent non-diffusive transport due to filamentary coherent structures observed during the Edge Localized Modes (ELMs) and simple time-dependent multi-parametric models for cross-field plasma transport coefficients and working gas inventory in material surfaces. Temporal evolutions of pedestal plasma profiles, divertor recycling, and wall inventory in a sequence of ELMs are studied and compared to the experimental time-dependent data. Short- and long-time-scale variations of the pedestal and divertor plasmas where the ELM is described as a sequence of macro-blobs are discussed. It is shown that the ELM recovery includes the phase of relatively dense and cold post-ELM divertor plasma evolving on a several ms scale, which is set by the transport properties of H-mode barrier. The global gas balance in the discharge is also analyzed. The calculated rates of working gas deposition during each ELM and wall outgassing between ELMs are compared to the ELM particle losses from the pedestal and neutral-beam-injection fueling rate, correspondingly. A sensitivity study of the pedestal and divertor plasmas to model assumptions for gas deposition and release on material surfaces is presented. The performed simulations show that the dynamics of pedestal particle inventory is dominated by the transient intense gas deposition into the wall during each ELM followed by continuous gas release between ELMs at roughly a constant rate.

Simulations of a high-confinement-mode (H-mode) tokamak discharge with infrequent giant type-I ELMs are performed by the multi-fluid, multi-species, two-dimensional transport code UEDGE-MB, which incorporates the Macro-Blob approach for intermittent non-diffusive transport due to filamentary coherent structures observed during the Edge Localized Modes (ELMs) and simple time-dependent multi-parametric models for cross-field plasma transport coefficients and working gas inventory in material surfaces. Temporal evolutions of pedestal plasma profiles, divertor recycling, and wall inventory in a sequence of ELMs are studied and compared to the experimental time-dependent data. Short- and long-time-scale variations of the pedestal and divertor plasmas where the ELM is described as a sequence of macro-blobs are discussed. It is shown that the ELM recovery includes the phase of relatively dense and cold post-ELM divertor plasma evolving on a several ms scale, which is set by the transport properties of H-mode barrier. The global gas balance in the discharge is also analyzed. The calculated rates of working gas deposition during each ELM and wall outgassing between ELMs are compared to the ELM particle losses from the pedestal and neutral-beam-injection fueling rate, correspondingly. A sensitivity study of the pedestal and divertor plasmas to model assumptions for gas deposition and release on material surfaces is presented. The performed simulations show that the dynamics of pedestal particle inventory is dominated by the transient intense gas deposition into the wall during each ELM followed by continuous gas release between ELMs at roughly a constant rate.

In this project, a computational modeling approach for analyzing flow and ash transport and deposition in filter vessels was developed. An Eulerian-Lagrangian formulation for studying hot-gas filtration process was established. The approach uses an Eulerian analysis of gas flows in the filter vessel, and makes use of the Lagrangian trajectory analysis for the particle transport and deposition. Particular attention was given to the Siemens-Westinghouse filter vessel at Power System Development Facility in Wilsonville in Alabama. Details of hot-gas flow in this tangential flow filter vessel are evaluated. The simulation results show that the rapidly rotation flow in the spacing between the shroud and the vessel refractory acts as cyclone that leads to the removal of a large fraction of the larger particles from the gas stream. Several alternate designs for the filter vessel are considered. These include a vessel with a short shroud, a filter vessel with no shroud and a vessel with a deflector plate. The hot-gas flow and particle transport and deposition in various vessels are evaluated. The deposition patterns in various vessels are compared. It is shown that certain filter vessel designs allow for the large particles to remain suspended in the gas stream and to deposit on the filters. The presence of the larger particles in the filter cake leads to lower mechanical strength thus allowing for the back-pulse process to more easily remove the filter cake. A laboratory-scale filter vessel for testing the cold flow condition was designed and fabricated. A laser-based flow visualization technique is used and the gas flow condition in the laboratory-scale vessel was experimental studied. A computer model for the experimental vessel was also developed and the gas flow and particle transport patterns are evaluated.

A new computational model for neutral particle transport in the outer regions of a diverted tokamak plasma chamber is presented. The model is based on the calculation of transmission and escape probabilities using first-flight integral transport theory and the balancing of fluxes across the surfaces bounding the various regions. The geometrical complexity of the problem is included in precomputed probabilities which depend only on the mean free path of the region.

The focus of the project is the development of scientifically defensible approaches for upscaling reactive transportmodels (RTM) through a detailed understanding of U(VI) desorption across several spatial scales: bench-, intermediate-, and field-scales. The central hypothesis of the project is that the development of this methodology will lead to a scientifically defensible approach for conceptual model development for multicomponent RTM at contaminated DOE sites, leading to predictive transport simulations with reduced uncertainty.

Atmospheric aerosols, suspensions of solid or liquid particles, are an important multi-phase system. Aerosols scatter and absorb shortwave (solar) radiation, affecting climate (Charlson et al., 1992; Schwartz, 1996) and visibility; nucleate cloud droplet formation, modifying the reflectivity of clouds (Twomey et al., 1984; Schwartz and Slingo, 1996) as well as contributing to composition of cloudwater and to wet deposition (Seinfeld and Pandis, 1998); and affect human health through inhalation (NRC, 1998). Existing and prospective air quality regulations impose standards on concentrations of atmospheric aerosols to protect human health and welfare (EPA, 1998). Chemical transport and transformation models representing the loading and geographical distribution of aerosols and precursor gases are needed to permit development of effective and efficient strategies for meeting air quality standards, and for examining aerosol effects on climate retrospectively and prospectively for different emissions scenarios. Important aerosol properties and processes depend on their size distribution: light scattering, cloud nucleating properties, dry deposition, and penetration into airways of lungs. The evolution of the mass loading itself depends on particle size because of the size dependence of growth and removal processes. For these reasons it is increasingly recognized that chemical transport and transformation models must represent not just the mass loading of atmospheric particulate matter but also the aerosol microphysical properties and the evolution of these properties if aerosols are to be accurately represented in these models. If the size distribution of the aerosol is known, a given property can be evaluated as the integral of the appropriate kernel function over the size distribution. This has motivated the approach of determining aerosol size distribution, and of explicitly representing this distribution and its evolution in chemical transportmodels.

Fate and transportmodel results are presented for the Texarkana Wood Preserving Company (TWPC)superfund site. The conceptual model assumes two sources of contamination, specifically, the areas around the old and new process areas. Recent data show the presence of non-aqueous phase liquids (NAPL) in the aquifer that are also sources of dissolved contamination in the aquifer. A flow model was constructed and calibrated against measured hydraulic heads at permanent monitoring wells. Good matches were obtained between model simulated heads and most measured heads. An unexplained exception occurs at monitoring well MW-13 down gradient of the site beyond the measured contaminant plume where the model predicts heads that are more than 2 ft. lower than reported field measurements. Adjusting hydraulic parameters in the model could not account for this anomaly and still preserve the head matches at other wells. There is likely a moderate deficiency in the conceptual model or perhaps a data error. Other information such as substantial amounts of infiltrating surface water in the area or a correction in surveyed elevation would improve the flow model. A particle tracking model calculated a travel time from the new process area to the Day’s Creek discharge location on the order of 40 years. Travel times from the old process area to Day’s Creek were calculated to be on the order of 80 years. While these calculations are subject to some uncertainty, travel times of decades are indicated.

QuaLiKiz, a model based on a local gyrokinetic eigenvalue solver is expanded to include momentum flux modeling in addition to heat and particle fluxes. Essential for accurate momentum flux predictions, the parallel asymmetrization of the eigenfunctions is successfully recovered by an analytical fluid model. This is tested against self-consistent gyrokinetic calculations and allows for a correct prediction of the ExB shear impact on the saturated potential amplitude by means of a mixing length rule. Hence, the effect of the ExB shear is recovered on all the transport channels including the induced residual stress. Including these additions, QuaLiKiz remains ~10 000 faster than non-linear gyrokinetic codes allowing for comparisons with experiments without resorting to high performance computing. The example is given of momentum pinch calculations in NBI modulation experiments.

One of the most difficult aspects of performing an equilibrium particle transport analysis in a diverted tokamak is the determination of the particle flux which enters the plasma after recycling from the divertor plasma, the divertor target plates or the vessel wall. An approach which has been utilized in the past is to model the edge, scrape-off layer (SOL), and divertor plasma to match measured plasma parameters and then use a neutral transport code to obtain an edge recycling flux while trying to match the measured divertor D(x emissivity. Previous simulations were constrained by electron density (n{sub e}) and temperature (T{sub e}), ion temperature (T{sub i}) data at the outer midplane, divertor heat flux from infrared television cameras, and n{sub e}, T{sub e} and particle flux at the target from fixed Langmuir probes, along with the divertor D{sub {alpha}} emissivity. In this paper, we present results of core fueling calculations from the 2-D modeling for ELM-free discharges, constrained by data from the new divertor diagnostics. In addition, we present a simple technique for estimating the recycling flux just after the L-H transition and demonstrate how this technique is supported by the detailed modeling. We will show the effect which inaccuracies in the recycling flux have on the calculated particle flux in the plasma core. For some specific density profiles, it is possible to separate the convective flux from the conductive flux. The diffusion coefficients obtained show a sharp decrease near a normalized radius of 0.9 indicating the presence of a transport barrier.

A key ingredient of hydrodynamical modeling of relativistic heavy ion collisions is thermal initial conditions, an input that is the consequence of a pre-thermal dynamics which is not completely understood yet. In the paper we employ a recently developed energy-momentum transportmodel of the pre-thermal stage to study influence of the alternative initial states in nucleus-nucleus collisions on flow and energy density distributions of the matter at the starting time of hydrodynamics. In particular, the dependence of the results on isotropic and anisotropic initial states is analyzed. It is found that at the thermalization time the transverse flow is larger and the maximal energy density is higher for the longitudinally squeezed initial momentum distributions. The results are also sensitive to the relaxation time parameter, equation of state at the thermalization time, and transverse profile of initial energy density distribution: Gaussian approximation, Glauber Monte Carlo profiles, etc. Also, test results ensure that the numerical code based on the energy-momentum transportmodel is capable of providing both averaged and fluctuating initial conditions for the hydrodynamic simulations of relativistic nuclear collisions.

During the construction and operational phases of a high-level radioactive waste (HLW) repository constructed in a clay formation, ventilation of underground drifts will cause desaturation and oxidation of the rock. The Ventilation Experiment (VE) was performed in a 1.3 m diameter unlined horizontal microtunnel on Opalinus clay at Mont Terri underground research laboratory in Switzerland to evaluate the impact of desaturation on rock properties. A multiphase flow and reactive transportmodel of VE is presented here. The model accounts for liquid, vapor and air flow, evaporation/condensation and multicomponent reactive solute transport with kinetic dissolution of pyrite and siderite and local-equilibrium dissolution/precipitation of calcite, ferrihydrite, dolomite, gypsum and quartz. Model results reproduce measured vapor flow, liquid pressure and hydrochemical data and capture the trends of measured relative humidities, although such data are slightly overestimated near the rock interface due to uncertainties in the turbulence factor. Rock desaturation allows oxygen to diffuse into the rock and triggers pyrite oxidation, dissolution of calcite and siderite, precipitation of ferrihydrite, dolomite and gypsum and cation exchange. pH in the unsaturated rock varies from 7.8 to 8 and is buffered by calcite. Computed changes in the porosity and the permeability of Opalinus clay in the unsaturated zone caused by oxidation and mineral dissolution/precipitation are smaller than 5%. Therefore, rock properties are not expected to be affected significantly by ventilation of underground drifts during construction and operational phases of a HLW repository in clay.

We present our recent progress on mesoscopic modeling of multi-physicochemical transport phenomena in porous media based on the lattice Boltzmann method. Simulation examples include injection of CO{sub 2} saturated brine into a limestone rock, two-phase behavior and flooding phenomena in polymer electrolyte fuel cells, and electroosmosis in homogeneously charged porous media. It is shown that the lattice Boltzmann method can account for multiple, coupled physicochemical processes in these systems and can shed some light on the underlying physics occuning at the fundamental scale. Therefore, it can be a potential powerful numerical tool to analyze multi-physicochemical processes in various energy, earth, and environmental systems.

The purpose of this Workshop on ''Functional Requirements for the Modeling of Fate and Transport of Waterborne CBRN Materials'' was to solicit functional requirements for tools that help Incident Managers plan for and deal with the consequences of industrial or terrorist releases of materials into the nation's waterways and public water utilities. Twenty representatives attended and several made presentations. Several hours of discussions elicited a set of requirements. These requirements were summarized in a form for the attendees to vote on their highest priority requirements. These votes were used to determine the prioritized requirements that are reported in this paper and can be used to direct future developments.

We introduce a double-stranded Kronig-Penney model and analyze its transport properties. The asymmetric fluxes between two strands with suddenly alternating localization patterns are found as the energy is varied. The zero-size limit of the internal lines connecting two strands is examined using quantum graph vertices with four edges. We also consider a two-dimensional Kronig-Penney lattice with two types of alternating layers with $\\delta$ and $\\delta'$ connections, and show that the existence of energy bands in which the quantum flux can flow only in selected directions.

The excitation function of freeze-out time, average freeze-out temperature and freeze-out energy density of (multi-) strange baryons created in relativistic heavy-ion collisions is investigated in the framework of a microscopic transportmodel. We find that the Omega on average freezes out earlier than the nucleon, Xi and Lambda. The average freeze-out temperature and energy density as well as the spread between the different baryonicstates increase monotonously with increasing beam energy and should approach a universal value in the case of a hadronizing Quark-Gluon-Plasma.

The excitation function of freeze-out time, average freeze-out temperature and freeze-out energy density of (multi-) strange baryons created in relativistic heavy-ion collisions is investigated in the framework of a microscopic transportmodel. We find that the Omega on average freezes out earlier than the nucleon, Xi and Lambda. The average freeze-out temperature and energy density as well as the spread between the different baryonicstates increase monotonously with increasing beam energy and should approach a universal value in the case of a hadronizing Quark-Gluon-Plasma.

Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transportmodeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transportmodeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transportmodeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH{sub 4}{sup +} production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface.

The Department of Energy (DOE) has a historic programmatic interest in the safe and secure routing, tracking, and transportation risk analysis of radiological materials in the United States. In order to address these program goals, DOE has funded the development of several tools and related systems designed to provide insight to planners and other professionals handling radioactive materials shipments. These systems include the WebTRAGIS (Transportation Routing Analysis Geographic Information System) platform. WebTRAGIS is a browser-based routing application developed at Oak Ridge National Laboratory (ORNL) focused primarily on the safe transport of spent nuclear fuel from US nuclear reactors via railway, highway, or waterway. It is also used for the transport planning of low-level radiological waste to depositories such as the Waste Isolation Pilot Plant (WIPP) facility. One particular feature of WebTRAGIS is its coupling with high-resolution population data from ORNL s LandScan project. This allows users to obtain highly accurate population count and density information for use in route planning and risk analysis. To perform the routing and risk analysis WebTRAGIS incorporates a basic routing model methodology, with the additional application of various constraints designed to mimic US Department of Transportation (DOT), DOE, and Nuclear Regulatory Commission (NRC) regulations. Aside from the routing models available in WebTRAGIS, the system relies on detailed or specialized modal networks for the route solutions. These include a highly detailed network model of the US railroad system, the inland and coastal waterways, and a specialized highway network that focuses on the US interstate system and the designated hazardous materials and Highway Route Controlled Quantity (HRCQ) -designated roadways. The route constraints in WebTRAGIS rely upon a series of attributes assigned to the various components of the different modal networks. Routes are determined via a constrained shortest-path Dijkstra algorithm that has an assigned impedance factor. The route constraints modify the various impedance weights to bias or prefer particular network characteristics as desired by the user. Both the basic route model and the constrained impedance function calculations are determined by a series of network characteristics and shipment types. The study examines solutions under various constraints modeled by WebTRAGIS including possible routes from select shut-down reactor sites in the US to specific locations in the US. For purposes of illustration, the designated destinations are Oak Ridge National Laboratory in Tennessee and the Savannah River Site in South Carolina. To the degree that routes express sameness or variety under constraints serves to illustrate either a) the determinism of particular transport modes by either configuration or regulatory compliance, and/or b) the variety of constrained routes that are regulation compliant but may not be operationally feasible.

The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transportmodels of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus adding additional evidence for the possibility of organic matter oxidation as the main source of bicarbonate. Model results indicate that pH and Eh are relatively stable. The dissolution-precipitation trends of hematite, pyrite and calcite also coincide with those indicated by the conceptual model. A thorough sensitivity analysis has been performed for the most relevant microbial parameters as well as for initial and boundary POC and DOC concentrations. The results of such analysis indicate that computed concentrations of bicarbonate, sulfate and DOC are sensitive to most of the microbial parameters, including specific growth rates, half-saturation constants, proportionality coefficients and yield coefficients. Model results, however, are less sensitive to the yield coefficient of DOC to iron-reducer bacteria. The sensitivity analysis indicates that changes in fermentation microbial parameters affect the growth of the iron-reducer, thus confirming the interconnection of both microbial processes. Computed concentrations of bicarbonate and sulfate are found to be sensitive to changes in the initial concentration of POC and the boundary concentration of DOC, but they lack sensitivity to the initial concentration of DOC and the boundary concentration of POC. The explanation for such result is related to the fact that POC has a low mobility due to its large molecular weight. DOC, however, can migrate downwards. Although a coupled hydro-bio-geochemical 1-D model can reproduce the observed ''unexpected'' increase of concentrations of bicarbonate and sulfate at a depth of 70 m, further modeling work is required in order to obtain a similar conclusion under the more realistic two dimensional conditions of the fracture zone.

In this study, a hydrodynamic model based on the unstructured-grid finite volume coastal ocean model (FVCOM) was developed for Bellingham Bay, Washington. The model simulates water surface elevation, velocity, temperature, and salinity in a three-dimensional domain that covers the entire Bellingham Bay and adjacent water bodies, including Lummi Bay, Samish Bay, Padilla Bay, and Rosario Strait. The model was developed using Pacific Northwest National Laboratory’s high-resolution Puget Sound and Northwest Straits circulation and transportmodel. A sub-model grid for Bellingham Bay and adjacent coastal waters was extracted from the Puget Sound model and refined in Bellingham Bay using bathymetric light detection and ranging (LIDAR) and river channel cross-section data. The model uses tides, river inflows, and meteorological inputs to predict water surface elevations, currents, salinity, and temperature. A tidal open boundary condition was specified using standard National Oceanic and Atmospheric Administration (NOAA) predictions. Temperature and salinity open boundary conditions were specified based on observed data. Meteorological forcing (wind, solar radiation, and net surface heat flux) was obtained from NOAA real observations and National Center for Environmental Prediction North American Regional Analysis outputs. The model was run in parallel with 48 cores using a time step of 2.5 seconds. It took 18 hours of cpu time to complete 26 days of simulation. The model was calibrated with oceanographic field data for the period of 6/1/2009 to 6/26/2009. These data were collected specifically for the purpose of model development and calibration. They include time series of water-surface elevation, currents, temperature, and salinity as well as temperature and salinity profiles during instrument deployment and retrieval. Comparisons between model predictions and field observations show an overall reasonable agreement in both temporal and spatial scales. Comparisons of root mean square error values for surface elevation, velocity, temperature, and salinity time series are 0.11 m, 0.10 m/s, 1.28oC, and 1.91 ppt, respectively. The model was able to reproduce the salinity and temperature stratifications inside Bellingham Bay. Wetting and drying processes in tidal flats in Bellingham Bay, Samish Bay, and Padilla Bay were also successfully simulated. Both model results and observed data indicated that water surface elevations inside Bellingham Bay are highly correlated to tides. Circulation inside the bay is weak and complex and is affected by various forcing mechanisms, including tides, winds, freshwater inflows, and other local forcing factors. The Bellingham Bay model solution was successfully linked to the NOAA oil spill trajectory simulation model “General NOAA Operational Modeling Environment (GNOME).” Overall, the Bellingham Bay model has been calibrated reasonably well and can be used to provide detailed hydrodynamic information in the bay and adjacent water bodies. While there is room for further improvement with more available data, the calibrated hydrodynamic model provides useful hydrodynamic information in Bellingham Bay and can be used to support sediment transport and water quality modeling as well as assist in the design of nearshore restoration scenarios.

Sulfur hexafluoride (SF6) is an excellent tracer of large-scale atmospheric transport, because it has slowly increasing sources mostly confined to northern midlatitudes, and has a lifetime of thousands of years. We have simulated the emissions, transport, and concentration of SF, for a 5-year period, and compared the results with atmospheric observations. In addition, we have performed an intercomparison of interhemispheric transport among 11 models to investigate the reasons for the differences among the simulations. Most of the models are reasonably successful at simulating the observed meridional gradient of SF6 in the remote marine boundary layer, though there is less agreement at continental sites. Models that compare well to observations in the remote marine boundary layer tend to systematically overestimate SF6 at continental locations in source regions, suggesting that vertical trapping rather than meridional transport may be a dominant control on the simulated meridional gradient. The vertical structure of simulated SF6 in the models supports this interpretation. Some of the models perform quite well in terms of the simulated seasonal cycle at remote locations, while others do not. Interhemispheric exchange time varies by a factor of 2 when estimated from 1-dimensional meridional profiles at the surface, as has been done for observations. The agreement among models is better when the global surface mean mole fraction is used, and better still when the full 3-dimensional mean mixing ratio is used. The ranking of the interhemispheric exchange time among the models is not sensitive to the change From station values to surface means, but is very sensitive to the change from surface means to the full 3-dimensional tracer fields. This strengthens the argument that vertical redistribution dominates over interhemispheric transport in determining the meridional gradient at the surface. Vertically integrated meridional transport in the models is divided roughly equally into transport by the mean motion, the standing eddies, and the transient eddies. The vertically integrated mass flux is a good index of the degree to which resolved advection vs. parameterized diffusion accomplishes the meridional transport of SF6. Observational programs could provide a much better constraint on simulated chemical tracer transport if they included regular sampling of vertical profiles of nonreactive trace gases over source regions and meridional profiles in the middle to upper troposphere. Further analysis of the SF6 simulations will focus on the subgrid-scale parameterized transports.

The CO2 emissions from major industries cause serious global environment problems and their mitigation is urgently needed. The use of zeolite membranes is a very efficient way in order to capture CO2 from some flue gases. The dominant transport mechanism at low temperature andor high pressure is the diffusion through the membrane. This procedure can be divided in three steps: Adsorption of the molecules of the species in the surface of the membrane, then a driving force gives a path where the species follow inside the membrane and finally the species desorbed from the surface of the membrane. The current work is aimed at developing a simulation model for the CO2 transport through a zeolite membrane and estimate the diffusion phenomenon through a very thin membrane of 150 nm in a Wicke-Kallenbach cell. The cell is cylindrical in shape with diameter of 19 mm and consists of a retentate gas chamber, a permeate gas chamber which are separated by a cylindrical zeolite membrane. This apparatus have been modeled wit...

In this study, reactive transport simulations were used to assess the mobilization and transport of organics with supercritical CO{sub 2} (SCC), and the co-injection and transport of H{sub 2}S with SCC. These processes were evaluated at conditions of typical storage reservoirs, and for cases of hypothetical leakage from a reservoir to an overlying shallower fresh water aquifer. Modeling capabilities were developed to allow the simulation of multiphase flow and transport of H{sub 2}O, CO{sub 2}, H{sub 2}S, as well as specific organic compounds (benzene), coupled with multicomponent geochemical reaction and transport. This included the development of a new simulator, TMVOC-REACT, starting from existing modules of the TOUGH2 family of codes. This work also included an extensive literature review, calculation, and testing of phase-partitioning properties for mixtures of the phases considered. The reactive transport simulations presented in this report are primarily intended to illustrate the capabilities of the new simulator. They are also intended to help evaluate and understand various processes at play, in a more qualitative than quantitative manner, and only for hypothetical scenarios. Therefore, model results are not intended as realistic assessments of groundwater quality changes for specific locations, and they certainly do not provide an exhaustive evaluation of all possible site conditions, especially given the large variability and uncertainty in hydrogeologic and geochemical parameter input into simulations. The first step in evaluating the potential mobilization and transport of organics was the identification of compounds likely to be present in deep storage formations, and likely to negatively impact freshwater aquifers if mobilized by SCC. On the basis of a literature review related to the occurrence of these organic compounds, their solubility in water and SCC, and their toxicity (as reflected by their maximum contaminant levels MCL), benzene was selected as a key compound for inclusion into numerical simulations. Note that considering additional organic compounds and/or mixtures of such compounds in the simulations was beyond the scope of this study, because of the effort required to research, calculate, and validate the phase-partitioning data necessary for simulations. The injection of CO{sub 2} into a deep saline aquifer was simulated, followed by modeling the leaching of benzene by SCC and transport of benzene to an overlying aquifer along a hypothetical leakage pathway. One- and two-dimensional models were set up for this purpose. The target storage formation was assumed to initially contain about 10{sup -4} ppm benzene. Model results indicate that: (1) SCC efficiently extracts benzene from the storage formation. (2) Assuming equilibrium, the content of benzene in SCC is roportional to the concentration of benzene in the aqueous and solid phases. (3) Benzene may co-migrate with CO{sub 2} into overlying aquifers if a leakage pathway is present. Because the aqueous solubility of benzene in contact with CO{sub 2} is lower than the aqueous solubility of CO{sub 2}, benzene is actually enriched in the CO{sub 2} phase as the plume advances. (4) For the case studied here, the resulting aqueous benzene concentration in the overlying aquifer is on the same order of magnitude as the initial concentration in the storage formation. This generic modeling study illustrates, in a semi-quantitative manner, the possible mobilization of benzene by SCC. The extent to which the mobilization of this organic compound evolves temporally and spatially depends on a large number of controlling parameters and is largely site specific. Therefore, for more 'truly' predictive work, further sensitivity studies should be conducted, and further modeling should be integrated with site-specific laboratory and/or field experimental data. The co-injection of H{sub 2}S with CO{sub 2} into a deep saline aquifer was also simulated. In addition, the model considered leakage of the supercritical CO{sub 2}+H{sub 2}S mixture along a preferential p

The US Department of Energy is conducting the Weldon Spring Site Remedial Action Project under the Surplus Facilities Management Program (SFMP). The major goals of the SFMP are to eliminate potential hazards to the public and the environment that associated with contamination at SFMP sites and to make surplus property available for other uses to the extent possible. This report presents the results of analysis of available meteorological data from stations near the Weldon Spring site. Data that are most representative of site conditions are needed to accurately model the transport and dispersion of air pollutants associated with remedial activities. Such modeling will assist the development of mitigative measures. 17 refs., 12 figs., 6 tabs.

Long-distance bidirectional transport of organelles depends on the motor proteins kinesin and dynein. Using quantitative data obtained from a fungal model system, we previously developed ASEP-models of bidirectional motion of motors along unipolar microtubules (MTs) near the cell ends of the elongated hyphal cells (herein referred as "unipolar section"). However, recent quantitative live cell imaging in this system has demonstrated that long-range motility of motors and their endosomal cargo mainly occurs along extended antipolar microtubule bundles within the central part of the cell (herein referred to as "bipolar section"). Dynein and kinesin-3 motors coordinate their activity to move early endosomes (EEs) in a bidirectional fashion, with dynein mediating retrograde motility along the unipolar section near the cell poles, whereas kinesin-3 is responsible for bidirectional motions along the antipolar section. Here we extend our modelling approach to simulate bidirectional motility along an antipolar microtubule bundle. In our model, cargos (particles) change direction on each MT with a turning rate $\\Omega$ and the MTs are linked to each other at the minus ends where particles can hop between MTs with a rate $q_1$ (obstacle-induced switching rate) or $q_2$ (end-induced switching rate). By numerical simulations and mean-field approximations, we investigate the distribution of particles along the MTs for different overall densities $\\Theta$. We find that even if $\\Theta$ is low, the system can exhibit shocks in the density profiles near plus and minus ends caused by queueing of particles. We also discuss how the switching rates $q_{1,2}$ influence the type of motor that dominates the active transport in the bundle.

1 THE APPLICATION OF THE LAND TRANSFORMATION, GROUNDWATER FLOW AND SOLUTE TRANSPORTMODELS). The two hydrogeologic models that are being used here allow us to explore the dynamics of groundwater flow Meeting, New Orleans, Louisiana, March 14, 2001. #12;2 INTRODUCTION Grand Traverse Bay and the Grand

A phase-field model is developed to investigate the influence of microstructure, thermodynamic and kinetic properties, and charging conditions on charged particle transport in nanocomposite electrodes. Two sets of field variables are used to describe the microstructure. One is comprised of the order parameters describing size, orientation and spatial distributions of nanoparticles, and the other is comprised of the concentrations of mobile species. A porous nanoparticle microstructure filled with electrolyte is taken as a model system to test the phase-field model. Inhomogeneous and anisotropic dielectric constants and mobilities of charged particles, and stresses associated with lattice deformation due to Li-ion insertion/extraction are considered in the model. Iteration methods are used to find the elastic and electric fields in an elastically and electrically inhomogeneous medium. The results demonstrate that the model is capable of predicting charge separation associated with the formation of a double layer at the electrochemical interface between solid and electrolyte, and the effect of microstructure, inhomogeneous and anisotropic thermodynamic and kinetic properties, charge rates, and stresses on voltage versus current density and capacity during charging and discharging.

In the present study recycling and transport in the edge plasma of Alcator C-Mod [I. H. Hutchinson {ital et al.}, Phys. Plasmas {bold 1}, 1511 (1994)] is modeled and analyzed with the multi-fluid code UEDGE [T. D. Rognlien {ital et al.}, J. Nucl. Mater. {bold 196{endash}198}, 347 (1992)]. Matching the experimental plasma density profiles in the scrape-off layer (SOL) requires a spatially dependent effective anomalous diffusion coefficient D{sub {perpendicular}} growing rapidly towards the wall. The midplane pressure of neutral gas, P{sub mid}, is a key parameter that reflects the magnitude of anomalous transport of plasma from the core. Recycling of plasma on the main chamber wall appears to be quite significant, especially in the case of high P{sub mid}{approximately}0.3 mTorr when the main wall provides {approximately}70{percent} of recycling neutrals in the main chamber. In the upper SOL (well above the {ital x} point) draining of particles by the poloidal flow is weak and thus the particle balance is predominantly radial. For the radial heat transport it is found that energy flux carried by radial plasma convection and by charge-exchange (CX) neutrals is quite significant in SOL. In the high P{sub mid} case, heat conduction by CX neutrals along with radial heat convection by plasma carries most of the power flux ({approximately}75{percent}) across the last closed flux surface. Even in the low P{sub mid} case, heat conduction by CX neutrals dominates the radial heat flux far out in the SOL. {copyright} {ital 1999 American Institute of Physics.}

The transport of neutral particles in turbulent plasmas is addressed from the prospect of developing coarse-grained transportmodels which can be implemented in code suites like B2-EIRENE, currently used for designing the ITER divertor. The statistical properties of turbulent fluctuations are described by a multivariate Gamma distribution able to retain space and time correlations through a proper choice of covariance function. We show that in the scattering free case, relevant for molecules and impurity atoms, the average neutral particle density obeys a Boltzmann equation with an ionization rate renormalized by fluctuations. This result lends itself to a straightforward implementation in the EIRENE Monte Carlo solver for neutral particles. Special emphasis is put on the inclusion of time correlations, and in particular on the ballistic motion of coherent turbulent structures. The role of these time dependent effects is discussed for D{sub 2} molecules and beryllium atoms. The sensitivity of our results to the assumptions on the statistical properties of fluctuations is investigated.

We write a covariant transport equation for the phonon excitations of a relativistic superfluid valid at small temperatures. The hydrodynamical equations for this system are derived from the effective field theory associated to the superfluid phonons. We describe how to construct the kinetic theory for the phonon quasiparticles using a relativistic generalization of the analogue model of gravity developed by Unruh. This gravity analogy relies on the equivalence between the action of a phonon field moving in a superfluid background with that of a boson propagating in a given curved space-time. Exploiting this analogy we obtain continuity equations for the phonon current, entropy and energy-momentum tensor in a covariant form, valid in any reference frame. Our aim is to shed light on some aspects of transport phenomena of relativistic superfluidity. In particular, we are interested in the low temperature regime of the color flavor locked phase, which is a color superconducting and superfluid phase of high density QCD that may be realized in the core of neutron stars.

With growing importance of water resources in the world, remediations of anthropogenic contaminations due to reactive solute transport become even more important. A good understanding of reactive rate parameters such as kinetic parameters is the key to accurately predicting reactive solute transport processes and designing corresponding remediation schemes. For modeling reactive solute transport, it is very difficult to estimate chemical reaction rate parameters due to complex processes of chemical reactions and limited available data. To find a method to get the reactive rate parameters for the reactive urea hydrolysis transportmodeling and obtain more accurate prediction for the chemical concentrations, we developed a data assimilation method based on an ensemble Kalman filter (EnKF) method to calibrate reactive rate parameters for modeling urea hydrolysis transport in a synthetic one-dimensional column at laboratory scale and to update modeling prediction. We applied a constrained EnKF method to pose constraints to the updated reactive rate parameters and the predicted solute concentrations based on their physical meanings after the data assimilation calibration. From the study results we concluded that we could efficiently improve the chemical reactive rate parameters with the data assimilation method via the EnKF, and at the same time we could improve solute concentration prediction. The more data we assimilated, the more accurate the reactive rate parameters and concentration prediction. The filter divergence problem was also solved in this study.

Moment methods are finding increasing usage for simulations of particle population balance in box models and in more complex flows including two-phase flows. These highly efficient methods have nevertheless had little impact to date for multi-moment representation of aerosols and clouds in atmospheric models. There are evidently two reasons for this: First, atmospheric models, especially if the goal is to simulate climate, tend to be extremely complex and take many man-years to develop. Thus there is considerable inertia to the implementation of novel approaches. Second, and more fundamental, the nonlinear transport algorithms designed to reduce numerical diffusion during advection of various species (tracers) from cell to cell, in the typically coarse grid arrays of these models, can and occasionally do fail to preserve correlations between the moments. Other correlated tracers such as isotopic abundances, composition of aerosol mixtures, hydrometeor phase, etc., are subject to this same fate. In the case of moments, this loss of correlation can and occasionally does give rise to unphysical moment sets. When this happens the simulation can come to a halt. Following a brief description and review of moment methods, the goal of this paper is to present two new approaches that both test moment sequences for validity and correct them when they fail. The new approaches work on individual grid cells without requiring stored information from previous time-steps or neighboring cells.

This Appendix consists of two unpublished reports produced by Energy and Environmental Analysis, Inc., under contract to Oak Ridge National Laboratory. These two reports formed the basis for the subsequent development of the Fuel Economy Model described in Volume 1. They are included in order to document more completely the efforts undertaken to construct a comprehensive model of automobile fuel economy. The supplemental reports are as follows: Supplement 1--Documentation Attributes of Technologies to Improve Automotive Fuel Economy; Supplement 2--Analysis of the Fuel Economy Boundary for 2010 and Comparison to Prototypes.

Climate and energy policy in China will have important and uneven impacts on the country’s regionally heterogeneous transport system. In order to simulate these impacts, transport sector detail is added to a multi-sector, ...

particle transport calculations is an important problem in many applications targeted by the Accelerated Strategic Computing Initiative of the United States Department of Energy. One common approach to deterministic particle transport calculations...

The objective of this thesis is to better understand the transport and seismoelectric (SE) properties of porous permeable rock. Accurate information of rock transport properties, together with pore geometry, can aid us to ...

We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms are based on the numerical solution of the time-dependent Schr\\"{o}dinger equation and applied to calculate the density of states, \\textit{quasieigenstates}, AC and DC conductivities of large samples containing millions of atoms. Our results give a consistent picture of evolution of electronic structure and transport properties of functionalized graphene in a broad range of concentration of impurities (from graphene to graphane), and show that the formation of impurity band is the main factor determining electrical and optical properties at intermediate impurity concentrations, together with a gap opening when approaching the graphane limit.

The Central Nevada Test Area (CNTA) is a U.S. Department of Energy (DOE) site undergoing environmental restoration. The CNTA is located about 95 km northeast of Tonopah, Nevada, and 175 km southwest of Ely, Nevada (Figure 1.1). It was the site of the Faultless underground nuclear test conducted by the U.S. Atomic Energy Commission (DOE's predecessor agency) in January 1968. The purposes of this test were to gauge the seismic effects of a relatively large, high-yield detonation completed in Hot Creek Valley (outside the Nevada Test Site [NTS]) and to determine the suitability of the site for future large detonations. The yield of the Faultless underground nuclear test was between 200 kilotons and 1 megaton (DOE, 2000). A three-dimensional flow and transportmodel was created for the CNTA site (Pohlmann et al., 1999) and determined acceptable by DOE and the Nevada Division of Environmental Protection (NDEP) for predicting contaminant boundaries for the site.

Based on the UrQMD transportmodel, the transverse momentum and the rapidity dependence of the Hanbury-Brown-Twiss (HBT) radii $R_L$, $R_O$, $R_S$ as well as the cross term $R_{OL}$ at SPS energies are investigated and compared with the experimental NA49 and CERES data. The rapidity dependence of the $R_L$, $R_O$, $R_S$ is weak while the $R_{OL}$ is significantly increased at large rapidities and small transverse momenta. The HBT "life-time" issue (the phenomenon that the calculated $\\sqrt{R_O^{2}-R_S^{2}}$ value is larger than the correspondingly extracted experimental data) is also present at SPS energies.

This report describes the Mixing Cell Model code, a one-dimensional model for water flow and solute transport in the unsaturated zone under steady-state or transient flow conditions. The model is based on the principles and assumptions underlying mixing cell model formulations. The unsaturated zone is discretized into a series of independent mixing cells. Each cell may have unique hydrologic, lithologic, and sorptive properties. Ordinary differential equations describe the material (water and solute) balance within each cell. Water flow equations are derived from the continuity equation assuming that unit-gradient conditions exist at all times in each cell. Pressure gradients are considered implicitly through model discretization. Unsaturated hydraulic conductivity and moisture contents are determined by the material-specific moisture characteristic curves. Solute transport processes include explicit treatment of advective processes, first-order chain decay, and linear sorption reactions. Dispersion is addressed through implicit and explicit dispersion. Implicit dispersion is an inherent feature of all mixing cell models and originates from the formulation of the problem in terms of mass balance around fully mixed volume elements. Expressions are provided that relate implicit dispersion to the physical dispersion of the system. Two FORTRAN codes were developed to solve the water flow and solute transport equations: (1) the Mixing-Cell Model for Flow (MCMF) solves transient water flow problems and (2) the Mixing Cell Model for Transport (MCMT) solves the solute transport problem. The transient water flow problem is typically solved first by estimating the water flux through each cell in the model domain as a function of time using the MCMF code. These data are stored in either ASCII or binary files that are later read by the solute transport code (MCMT). Code output includes solute pore water concentrations, water and solute inventories in each cell and at each specified output time, and water and solute fluxes through each cell and specified output time. Computer run times for coupled transient water flow and solute transport were typically several seconds on a 2 GHz Intel Pentium IV desktop computer. The model was benchmarked against analytical solutions and finite-element approximations to the partial differential equations (PDE) describing unsaturated flow and transport. Differences between the maximum solute flux estimated by the mixing-cell model and the PDE models were typically less than two percent.

The Transportation Secure Data Center (TSDC) at www.nrel.gov/tsdc provides free, web-based access to detailed transportation data from a variety of travel surveys conducted across the nation. While preserving the privacy of survey participants, this online repository makes vital transportation data broadly available to users from the comfort of their own desks via a secure online connection.

During the period of 1966-1975, a highly chlorinated pesticide, Kepone, was discharged to the environment around Hopewell, Virginia. Much of the Kepone that reached the James River estuary was adsorbed by river sediment, becoming a long-term source of pollution. In order to identify an optimal location to remove Kepone from the river bed and to assess the effectiveness of the clean up activities to reduce the Kepone level in the river, the mathematical simulation of sediment and Kepone transport in the James River estuary was performed by applying the sediment-containment transportmodel, FETRA, to an 86-km river reach between Bailey and Burwell Bays. The FETRA code is an unsteady, two-dimensional, finite element interactions. The submodels are: (1) a sediment transport submodel, (2) a dissolved contaminant transport submodel, and (3) a particulate contaminant (contaminant adsorbed by sediment) transport submodel. FETRA also predicts changes in river bed conditions of sediment and contaminant. The value of applying models to dredging activity goes beyond this specific example. Through the sensitivity analysis, one can employ models to predict the most cost effective strategy for dredging. Properly constructed strategies will take advantage of river and coastal water dynamics to reduce the total volume of sediments to be dredged. Results of the simulation can also be used to predict subsequent environmental impacts.

Thermohydrochemical (T-H-C) processes result from the placement of heat-generating radioactive materials in unsaturated, fractured geologic materials. The placement of materials in the proposed Yucca Mountain repository will result in complex environmental conditions. Simple models are developed liking the thermohydrological effects simulated with TOUGHZ to system chemistry, with an example presented for chloride. Perturbations to near-field chemistry could have a significant impact on the migration of actinides and fission products in geologic materials. Various conceptual models to represent fractures are utilized in TOUGHZ simulations of thermohydrological processes. The simulated moisture redistribution is then coupled to simple chemical models to demonstrate the potential magnitude of T-H-C processes. The concentration of chloride in solution (returning to the engineered barrier system) is demonstrated, in extreme cases, to exceed 100,000 mg/L. The implication is that the system (typically ambient chemical and hydrological conditions) in which radionuclide transport is typically simulated and measured may be significantly different from the perturbed system.

The Savannah River Site (SRS) conducts performance assessment (PA) calculations to determine the appropriate amount of low-level radiological waste that can be safely disposed on site. Parameters are included in these calculations that account for the interaction between the immobile solid phase and the mobile aqueous phase. These parameters are either the distribution coefficient (K{sub d} value) or the apparent solubility value (K{sub sp}). These parameters are readily found in the literature and are used throughout the DOE complex. One shortcoming of K{sub d} values is that they are only applicable to a given set of solid and aqueous phase conditions. Therefore, a given radionuclide may have several K{sub d} values as it moves between formations and comes into contact with different solids and different aqueous phases. It is expected that the K{sub d} construct will be appropriate to use for a majority of the PA and for a majority of the radionuclides. However, semi-mechanistic models would be more representative in isolated cases where the chemistry is especially transitory or the radionuclide chemistry is especially complex, bringing to bear multiple species of varying sorption tendencies to the sediment. Semi-mechanistic models explicitly accommodate the dependency of K{sub d} values, or other sorption parameters, on contaminant concentration, competing ion concentrations, pH-dependent surface charge on the adsorbent, and solute species distribution. Incorporating semi-mechanistic concepts into geochemical models is desirable to make the models more robust and technically defensible. Furthermore, these alternative models could be used to augment or validate a Kd?based DOE Order 435.1 Performance Assessment. The objectives of this study were to: 1) develop a quantitative thermodynamically-based model for neptunium sorption to SRS sediments, and 2) determine a sorption constant from an SRS 11-year lysimeter study. The modeling studies were conducted with existing data sets. The first data set used laboratory generated Np sorption data as a function of concentration (three orders of magnitude) and as a function of pH (four orders of magnitude of proton concentration). In this modeling exercise, a very simple solution was identified by assuming that all sorption occurred only to the iron oxides in the sediment and that all the added NpO{sub 4}{sup -} remained in the oxidized state and was not reduced to the Np(IV) state (as occurs rapidly with Pu(V)). With rather limited input data, very good agreement between experimental and modeling results was observed. This modeling approach would be easy to add to the PA with little additional data requirements. This model would be useful in a system where pH is expected to change greatly, such as directly beneath a grout or concrete structure. The second model discussed in the report was to derive strontium K{sub d} values from data collected in an 11-year-old field transport study. In this controlled lysimeter study, a sensitivity analysis was conducted of hydrological and chemical processes that influence contaminant transport, including diffusion coefficients, seepage velocity, and K{sub d} value. The best overall K{sub d} derived from the model fit to the data was 32 L kg{sup -1}, which was the same value that was previously measured in traditional laboratory batch sorption studies. This was an unexpected result given the differences in experimental conditions between the batch test and the lysimeter flow through test, in particular the differences between strontium adsorption and desorption processes occurring in the latter test and not in the former. There were some trends in the lysimeter strontium data that were not predicted by the K{sub d} model, which suggest that other geochemical processes are likely also controlling strontium transport. Strontium release and cation exchange are being evaluated. These results suggest that future modeling efforts (e.g., PAs) could be improved by employing a more robust semi-empirical modeling approach to transient or complex conditio

Field experiments at a former uranium mill tailings site have identified the potential for stimulating indigenous bacteria to catalyze the conversion of aqueous uranium in the +6 oxidation state to immobile solid-associated uranium in the +4 oxidation state. This effectively removes uranium from solution resulting in groundwater concentrations below actionable standards. Three-dimensional, coupled variably-saturated flow and biogeochemical reactive transportmodeling of a 2008 in situ uranium bioremediation field experiment is used to better understand the interplay of transport rates and biogeochemical reaction rates that determine the location and magnitude of key reaction products. A comprehensive reaction network, developed largely through previous 1-D modeling studies, was used to simulate the impacts on uranium behavior of pulsed acetate amendment, seasonal water table variation, spatially-variable physical (hydraulic conductivity, porosity) and geochemical (reactive surface area) material properties. A principal challenge is the mechanistic representation of biologically-mediated terminal electron acceptor process (TEAP) reactions whose products significantly alter geochemical controls on uranium mobility through increases in pH, alkalinity, exchangeable cations, and highly reactive reduction products. In general, these simulations of the 2008 Big Rusty acetate biostimulation field experiment in Rifle, Colorado confirmed previously identified behaviors including (1) initial dominance by iron reducing bacteria that concomitantly reduce aqueous U(VI), (2) sulfate reducing bacteria that become dominant after {approx}30 days and outcompete iron reducers for the acetate electron donor, (3) continuing iron-reducer activity and U(VI) bioreduction during dominantly sulfate reducing conditions, and (4) lower apparent U(VI) removal from groundwater during dominantly sulfate reducing conditions. New knowledge on simultaneously active metal and sulfate reducers has been incorporated into the modeling. In this case, an initially small population of slow growing sulfate reducers is active from the initiation of biostimulation. Three-dimensional, variably saturated flow modeling was used to address impacts of a falling water table during acetate injection. These impacts included a significant reduction in aquifer saturated thickness and isolation of residual reactants and products, as well as unmitigated uranium, in the newly unsaturated vadose zone. High permeability sandy gravel structures resulted in locally high flow rates in the vicinity of injection wells that increased acetate dilution. In downgradient locations, these structures created preferential flow paths for acetate delivery that enhanced local zones of TEAP reactivity and subsidiary reactions. Conversely, smaller transport rates associated with the lower permeability lithofacies (e.g., fine) and vadose zone were shown to limit acetate access and reaction. Once accessed by acetate, however, these same zones limited subsequent acetate dilution and provided longer residence times that resulted in higher concentrations of TEAP products when terminal electron donors and acceptors were not limiting. Finally, facies-based porosity and reactive surface area variations were shown to affect aqueous uranium concentration distributions; however, the ranges were sufficiently small to preserve general trends. Large computer memory and high computational performance were required to simulate the detailed coupled process models for multiple biogeochemical components in highly resolved heterogeneous materials for the 110-day field experiment and 50 days of post-biostimulation behavior. In this case, a highly-scalable subsurface simulator operating on 128 processor cores for 12 hours was used to simulate each realization. An equivalent simulation without parallel processing would have taken 60 days, assuming sufficient memory was available.

This document presents a summary and framework of available transport data and other information directly relevant to the development of the Rainier Mesa/Shoshone Mountain (RMSM) Corrective Action Unit (CAU) 99 groundwater transportmodel. Where appropriate, data and information documented elsewhere are briefly summarized with reference to the complete documentation.

Zirconium (Zr) based alloys are widely used as the cladding materials in light-water reactors. The water-side corrosion of these alloys degrades their structural integrity and poses serious safety concerns. During the Zr corrosion process, a thin Zr oxide (ZrO2) layer forms on the alloy surface and serves as a barrier layer for further corrosion. The majority of the oxide has the monoclinic phase. At the transition region between the oxide and the metal, the oxide contains a thin layer of stabilized tetragonal phase. It is found that the texture of the tetragonal layer determines the protectiveness of the oxide for corrosion. The transport of oxidizing species, such as anion defects, cation defects, and electron through the tetragonal oxide layer could be the rate limiting step of the corrosion. The defect diffusion can be affected by the growing stresses and microstructures such as grain boundaries and dislocations. In this work molecular dynamics simulations are used to investigate the anion and cation diffusion in bulk and at grain boundaries in tetragonal ZrO2. The results show that defect diffusion at grain boundaries is complex and the behavior strongly depends on the grain boundary type. For most of the grain boundaries studied the defect diffusion are much slower than in the bulk, implying that grain boundaries may not be fast defect transport paths during corrosion. The connection between the modeling results and published experimental work will also be discussed. This work is funded by the Laboratory Directed Research and Development (LDRD) program at Idaho National Laboratory.

We use a particle-tracking method to simulate several one-dimensional bimolecular reactive transport experiments. In this numerical method, the reactants are represented by particles: advection and dispersion dominate the flow, and molecular diffusion dictates, in large part, the reactions. The particle/particle reactions are determined by a combination of two probabilities dictated by the physics of transport and energetics of reaction. The first is that reactant particles occupy the same volume over a short time interval. The second is the conditional probability that two collocated particles favorably transform into a reaction. The first probability is a direct physical representation of the degree of mixing in an advancing displacement front, and as such lacks empirical parameters except for the user-defined number of particles. This number can be determined analytically from concentration autocovariance, if this type of data is available. The simulations compare favorably to two physical experiments. In one, the concentration of product, 1,2-naphthoquinoe-4-aminobenzene (NQAB) from reaction between 1,2-naphthoquinone-4-sulfonic acid (NQS) and aniline (AN), was measured at the outflow of a column filled with glass beads at different times. In the other, the concentration distribution of reactants (CuSO_4 and EDTA^{4-}) and products (CuEDTA^{4-}) were quantified by snapshots of transmitted light through a column packed with cryloite sand. The thermodynamic rate coefficient in the latter experiment was 10^7 times greater than the former experiment, making it essentially instantaneous. When compared to the solution of the advection-dispersion-reaction equation (ADRE) with the well-mixed reaction coefficient, the experiments and the particle-tracking simulations showed on the order of 20% to 40% less overall product, which is attributed to poor mixing. The poor mixing also leads to higher product concentrations on the edges of the mixing zones, which the particle model simulates more accurately than the ADRE.

al., 1996). The more recent works on traffic control systems have adopted results of modern control responsibility of Delft University of Technology Keywords: Model Predictive Control, Intelligent Transport System, Congestion Control 1. Introduction Increasing population and economic activities in modern societies have led

GROUNDWATER FLOW AND TRANSPORTMODELING Application to Submarine Groundwater Discharge, Coastal, but is also lost to surface water drainage and potential submarine groundwater discharge. There are also to deal with issues such as submarine groundwater discharge and coastal wetland hydrology. SEAWAT also has

Background: Ion transport is a fundamental physiological process that can be studied non-invasively in living plants with radiotracer imaging methods. Fluoride is a known phytotoxic pollutant and understanding its transport in plants after leaf absorption is of interest to those in agricultural areas near industrial sources of airborne fluoride. Here we report the novel use of a commercial, high-resolution, animal positron emission tomography (PET) scanner to trace a bolus of [¹?F]fluoride administered via bisected petioles of Brassica oleracea, an established model species, to simulate whole plant uptake of atmospheric fluoride. This methodology allows for the first time mathematical compartmental modelingmore »of fluoride transport in the living plant. Radiotracer kinetics in the stem were described with a single-parameter free- and trapped-compartment model and mean arrival times at different stem positions were calculated from the free-compartment time-activity curves. Results: After initiation of administration at the bisected leaf stalk, [¹?F] radioactivity climbed for approximately 10 minutes followed by rapid washout from the stem and equilibration within leaves. Kinetic modeling of transport in the stem yielded a trapping rate of 1.5 +/- 0.3%/min (mean +/- s.d., n = 3), velocity of 2.2 +/- 1.1 cm/min, and trapping fraction of 0.8 +/- 0.5%/cm. Conclusion: Quantitative assessment of physiologically meaningful transport parameters of fluoride in living plants is possible using standard positron emission tomography in combination with petiolar radiotracer administration. Movement of free fluoride was observed to be consistent with bulk flow in xylem, namely a rapid and linear change in position with respect to time. Trapping, likely in the apoplast, was observed. Future applications of the methods described here include studies of transport of other ions and molecules of interest in plant physiology.« less

features of ITB models the phase transition character with a power threshold, barrier front propagation radial electric field.10,11 As happens with the edge transport barriers, the system reacts to the extraFluctuation level bursts in a model of internal transport barrier formation D. Lo´pez-Bruna, D. E

absorption, thin-film coatings, and uneven or irregular surfaces by tracking the photon polarization aerogel layer [10]. Several models have also been proposed for modeling optical transport in organic light

The Nuclear Regulatory Commission uses MACCS2 (MELCOR Accident Consequence Code System, Version 2) for regulatory purposes such as planning for emergencies and cost-benefit analyses. MACCS2 uses a straight-line Gaussian model for atmospheric transport and dispersion. This model has been criticized as being overly simplistic, although only expected values of metrics of interest are used in the regulatory arena. To test the assumption that averaging numerous weather results adequately compensates for the loss of structure in the meteorology that occurs away from the point of release, average MACCS2 results have been compared with average results from a state-of-the-art, 3-dimensional LODI (Lagrangian Operational Dispersion Integrator)/ADAPT (Atmospheric Data Assimilation and Parameterization Technique) and a Lagrangian trajectory, Gaussian puff transport and dispersion model from RASCAL (Radiological Assessment System for consequence Analysis). The weather sample included 610 weather trials representing conditions for a hypothetical release at the Central Facility of the Department of Energy's Atmospheric Radiation Measurement site. The values compared were average ground concentrations and average surface-level air concentrations at several distances out to 100 miles (160.9 km) from the assumed release site.

by Ouriemi et al. (2009a) to study bedload transport in pipe flows. The governing equations are discretized flows with the hydrate or sand issues in oil production and granular transport in food or pharmaceutical the fluid-particle interaction is assumed to follow a Darcy law. This approach allows to predict

higher than those for bed load transport in alluvial rivers but is in the range of shear stress exponents derived from flume experiments on steep slopes and with total load equations. The concavity index of the gully profiles obtained theoretically from the area and slope exponents of the sediment transport

This report documents the RADTRAD computer code developed for the U.S. Nuclear Regulatory Commission (NRC) Office of Nuclear Reactor Regulation (NRR) to estimate transport and removal of radionuclides and dose at selected receptors. The document includes a users` guide to the code, a description of the technical basis for the code, the quality assurance and code acceptance testing documentation, and a programmers` guide. The RADTRAD code can be used to estimate the containment release using either the NRC TID-14844 or NUREG-1465 source terms and assumptions, or a user-specified table. In addition, the code can account for a reduction in the quantity of radioactive material due to containment sprays, natural deposition, filters, and other natural and engineered safety features. The RADTRAD code uses a combination of tables and/or numerical models of source term reduction phenomena to determine the time-dependent dose at user-specified locations for a given accident scenario. The code system also provides the inventory, decay chain, and dose conversion factor tables needed for the dose calculation. The RADTRAD code can be used to assess occupational radiation exposures, typically in the control room; to estimate site boundary doses; and to estimate dose attenuation due to modification of a facility or accident sequence.

This report documents transport data and data analyses for Yucca Flat/Climax Mine CAU 97. The purpose of the data compilation and related analyses is to provide the primary reference to support parameterization of the Yucca Flat/Climax Mine CAU transportmodel. Specific task objectives were as follows: • Identify and compile currently available transport parameter data and supporting information that may be relevant to the Yucca Flat/Climax Mine CAU. • Assess the level of quality of the data and associated documentation. • Analyze the data to derive expected values and estimates of the associated uncertainty and variability. The scope of this document includes the compilation and assessment of data and information relevant to transport parameters for the Yucca Flat/Climax Mine CAU subsurface within the context of unclassified source-term contamination. Data types of interest include mineralogy, aqueous chemistry, matrix and effective porosity, dispersivity, matrix diffusion, matrix and fracture sorption, and colloid-facilitated transport parameters.

Many sites of groundwater contamination rely heavily on complex numerical models of flow and transport to develop closure plans. This has created a need for tools and approaches that can be used to build confidence in model predictions and make it apparent to regulators, policy makers, and the public that these models are sufficient for decision making. This confidence building is a long-term iterative process and it is this process that should be termed ''model validation.'' Model validation is a process not an end result. That is, the process of model validation cannot always assure acceptable prediction or quality of the model. Rather, it provides safeguard against faulty models or inadequately developed and tested models. Therefore, development of a systematic approach for evaluating and validating subsurface predictive models and guiding field activities for data collection and long-term monitoring is strongly needed. This report presents a review of model validation studies that pertain to groundwater flow and transportmodeling. Definitions, literature debates, previously proposed validation strategies, and conferences and symposia that focused on subsurface model validation are reviewed and discussed. The review is general in nature, but the focus of the discussion is on site-specific, predictive groundwater models that are used for making decisions regarding remediation activities and site closure. An attempt is made to compile most of the published studies on groundwater model validation and assemble what has been proposed or used for validating subsurface models. The aim is to provide a reasonable starting point to aid the development of the validation plan for the groundwater flow and transportmodel of the Faultless nuclear test conducted at the Central Nevada Test Area (CNTA). The review of previous studies on model validation shows that there does not exist a set of specific procedures and tests that can be easily adapted and applied to determine the validity of site-specific groundwater models. This is true for both deterministic and stochastic models, with the latter posing a more difficult and challenging problem when it comes to validation. This report then proposes a general validation approach for the CNTA model, which addresses some of the important issues recognized in previous validation studies, conferences, and symposia as crucial to the process. The proposed approach links model building, model calibration, model predictions, data collection, model evaluations, and model validation in an iterative loop. The approach focuses on use of collected validation data to reduce model uncertainty and narrow the range of possible outcomes of stochastic numerical models. It accounts for the stochastic nature of the numerical CNTA model, which used Monte Carlo simulation approach. The proposed methodology relies on the premise that absolute validity is not even a theoretical possibility and is not a regulatory requirement. Rather, it highlights the importance of testing as many aspects of the model as possible and using as many diverse statistical tools as possible for rigorous checking and confidence building in the model and its predictions. It is this confidence that will eventually allow for regulator and public acceptance of decisions based on the model predictions.

This work explores the use of principal components analysis coupled to three-dimensional atmospheric transport and dispersion models for evaluating the environmental consequences of reactor accidents. This permits the inclusion of meteorological data from multiple sites and the effects of topography in the consequence evaluation; features not normally included in such analyses. The technique identifies prevailing regional wind patterns and their frequencies for use in the transport and dispersion calculations. Analysis of a hypothetical accident scenario involving a release of radioactivity from a reactor situated in a river valley indicated the technique is quite useful whenever recurring wind patterns exist, as is often the case in complex terrain situations. Considerable differences were revealed in a comparison with results obtained from a more conventional Gaussian plume model using only the reactor site meteorology and no topographic effects.

Existing fuel taxes play a major role in determining the welfare effects of exempting the transportation sector from measures to control greenhouse gases. To study this phenomenon we modify the MIT Emissions Prediction and ...

The consumption of lubricating oil in internal combustion engines is a continuous interest for engine developers and remains to be one of the least understood areas. A better understanding on oil transport is critical to ...

The National Renewable Energy Laboratory (NREL) and the U.S. Department of Transportation (DOT) have launched the free, web-based Transportation Secure Data Center (TSDC). The TSDC (www.nrel.gov/tsdc) preserves respondent anonymity while making vital transportation data available to a broad group of users through secure, online access. The TSDC database gives, metropolitan planning organizations, universities, national laboratories, air quality management districts, disaster planning agencies and auto manufacturers free-of-charge web-based access to valuable transportation data. The TSDC's two levels of access make composite data available with simple online registration, and allow researchers to use detailed spatial data after completing a straight forward application process.

The purpose of this paper is to test how well numerical calculations can predict transport properties of porous permeable rock, given its 3D digital microtomography (?CT) image. For this study, a Berea 500 sandstone sample ...

This fact sheet describes the Transportation Secure Data Center (TSDC) - an NREL-operated resource that provides secure access to detailed GPS travel data for valuable research purposes in a way that protects original participant privacy.

-dimensional acid transport and reaction within a fracture to yield the etched width created by acid along the fracture. The conductivity is calculated with the simulator derived acid-etched width, using correlations recently developed that reflect the small scale...

Dihadron azimuthal angle correlations relative to the reaction plane have been investigated in Au + Au collisions at $\\sqrt{s_{NN}}$ = 200 GeV using a multi-phase transportmodel (AMPT). Such reaction plane azimuthal angle dependent correlations can shed light on path-length effect of energy loss of high transverse momentum particles propagating through the hot dense medium. The correlations vary with the trigger particle azimuthal angle with respect to the reaction plane direction, $\\phi_{s}=\\phi_{T}-\\Psi_{EP}$, which is consistent with the experimental observation by the STAR collaboration. The dihadron azimuthal angle correlation functions on the away side of the trigger particle present a distinct evolution from a single peak to a broad, possibly double peak, structure when the trigger particle direction goes from in-plane to out-of-plane of the reaction plane. The away-side angular correlation functions are asymmetric with respect to the back-to-back direction in some regions of $\\phi_{s}$, which could provide insight on testing $v_{1}$ method to reconstruct the reaction plane. In addition, both the root-mean-square width ($W_{rms}$) of the away-side correlation distribution and the splitting parameter $D$ between the away-side double peaks increase slightly with $\\phi_{s}$, and the average transverse momentum of the away-side associated hadrons shows a strong $\\phi_{s}$ dependence. Our results indicate that strong parton cascade and resultant energy loss could play an important role for the appearance of a double-peak structure in the dihadron azimuthal angular correlation function on the away side of the trigger particle.

This document, the Phase II Frenchman Flat transport report, presents the results of radionuclide transport simulations that incorporate groundwater radionuclide transportmodel statistical and structural uncertainty, and lead to forecasts of the contaminant boundary (CB) for a set of representative models from an ensemble of possible models. This work, as described in the Federal Facility Agreement and Consent Order (FFACO) Underground Test Area (UGTA) strategy (FFACO, 1996; amended 2010), forms an essential part of the technical basis for subsequent negotiation of the compliance boundary of the Frenchman Flat corrective action unit (CAU) by Nevada Division of Environmental Protection (NDEP) and National Nuclear Security Administration Nevada Site Office (NNSA/NSO). Underground nuclear testing via deep vertical shafts was conducted at the Nevada Test Site (NTS) from 1951 until 1992. The Frenchman Flat area, the subject of this report, was used for seven years, with 10 underground nuclear tests being conducted. The U.S. Department of Energy (DOE), NNSA/NSO initiated the UGTA Project to assess and evaluate the effects of underground nuclear tests on groundwater at the NTS and vicinity through the FFACO (1996, amended 2010). The processes that will be used to complete UGTA corrective actions are described in the “Corrective Action Strategy” in the FFACO Appendix VI, Revision No. 2 (February 20, 2008).

During 2002 and 2003, bioremediation experiments in the unconfined aquifer of the Old Rifle UMTRA field site in western Colorado provided evidence for the immobilization of hexavalent uranium in groundwater by iron-reducing Geobacter sp. stimulated by acetate amendment. As the bioavailable Fe(III) terminal electron acceptor was depleted in the zone just downgradient of the acetate injection gallery, sulfate-reducing organisms came to dominate the microbial community. In the present study, we use multicomponent reactive transportmodeling to analyze data from the 2002 field experiment to 1) identify the dominant transport and biological processes controlling uranium mobility during biostimulation, 2) determine field-scale parameters for these modeled processes, and 3) apply the calibrated process models to history match observations during the 2003 field experiment. In spite of temporally and spatially variable observations during the field-scale biostimulation experiments, the coupled process simulation approach was able to establish a quantitative characterization of the principal flow, transport, and reaction processes that could be applied without modification to describe the 2003 field experiment. Insights gained from this analysis include field-scale estimates of bioavailable Fe(III) mineral, and the magnitude of uranium bioreduction during biostimulated growth of the iron-reducing and sulfate-reducing microorganisms.

This paper describes the methodology and application of the computer model CLEAR (Calculates Logical Evacuation And Response) which estimates the time required for a specific population density and distribution to evacuate an area using a specific transportation network. The CLEAR model simulates vehicle departure and movement on a transportation network according to the conditions and consequences of traffic flow. These include handling vehicles at intersecting road segments, calculating the velocity of travel on a road segment as a function of its vehicle density, and accounting for the delay of vehicles in traffic queues. The program also models the distribution of times required by individuals to prepare for an evacuation. In order to test its accuracy, the CLEAR model was used to estimate evacuatlon tlmes for the emergency planning zone surrounding the Beaver Valley Nuclear Power Plant. The Beaver Valley site was selected because evacuation time estimates had previously been prepared by the licensee, Duquesne Light, as well as by the Federal Emergency Management Agency and the Pennsylvania Emergency Management Agency. A lack of documentation prevented a detailed comparison of the estimates based on the CLEAR model and those obtained by Duquesne Light. However, the CLEAR model results compared favorably with the estimates prepared by the other two agencies.

Solar flares involve complex processes that are coupled together and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present such a model to simulate the coupling of high-energy particle kinetics with hydrodynamics of the atmospheric plasma. We combine the Stanford unified Fokker-Planck code that models particle acceleration, transport, and bremsstrahlung radiation with the RADYN hydrodynamic code that models the atmospheric response to collisional heating by non-thermal electrons through detailed radiative transfer calculations. We perform simulations using different injection electron spectra, including an {\\it ad hoc} power law and more realistic spectra predicted by the stochastic acceleration model due to turbulence or plasma waves. Surprisingly, stochastically accelerated electrons, even with energy flux $\\ll 10^{10}$ erg s$^{-1}$ cm$^{-2}$, cause "explosive" chromospheric evaporation and drive stronger up- an...

The groundwater flow system of the Nevada Test Site and surrounding region was evaluated to estimate the highest potential current and near-term risk to the public and the environment from groundwater contamination downgradient of the underground nuclear testing areas. The highest, or greatest, potential risk is estimated by assuming that several unusually rapid transport pathways as well as public and environmental exposures all occur simultaneously. These conservative assumptions may cause risks to be significantly overestimated. However, such a deliberate, conservative approach ensures that public health and environmental risks are not underestimated and allows prioritization of future work to minimize potential risks. Historical underground nuclear testing activities, particularly detonations near or below the water table, have contaminated groundwater near testing locations with radioactive and nonradioactive constituents. Tritium was selected as the contaminant of primary concern for this phase of the project because it is abundant, highly mobile, and represents the most significant contributor to the potential radiation dose to humans for the short term. It was also assumed that the predicted risk to human health and the environment from tritium exposure would reasonably represent the risk from other, less mobile radionuclides within the same time frame. Other contaminants will be investigated at a later date. Existing and newly collected hydrogeologic data were compiled for a large area of southern Nevada and California, encompassing the Nevada Test Site regional groundwater flow system. These data were used to develop numerical groundwater flow and tritium transportmodels for use in the prediction of tritium concentrations at hypothetical human and ecological receptor locations for a 200-year time frame. A numerical, steady-state regional groundwater flow model was developed to serve as the basis for the prediction of the movement of tritium from the underground testing areas on a regional scale. The groundwater flow model was used in conjunction with a particle-tracking code to define the pathlines followed by groundwater particles originating from 415 points associated with 253 nuclear test locations. Three of the most rapid pathlines were selected for transport simulations. These pathlines are associated with three nuclear test locations, each representing one of the three largest testing areas. These testing locations are: BOURBON on Yucca Flat, HOUSTON on Central Pahute Mesa, and TYBO on Western Pahute Mesa. One-dimensional stochastic tritium transport simulations were performed for the three pathlines using the Monte Carlo method with Latin hypercube sampling. For the BOURBON and TYBO pathlines, sources of tritium from other tests located along the same pathline were included in the simulations. Sensitivity analyses were also performed on the transportmodel to evaluate the uncertainties associated with the geologic model, the rates of groundwater flow, the tritium source, and the transport parameters. Tritium concentration predictions were found to be mostly sensitive to the regional geology in controlling the horizontal and vertical position of transport pathways. The simulated concentrations are also sensitive to matrix diffusion, an important mechanism governing the migration of tritium in fractured carbonate and volcanic rocks. Source term concentration uncertainty is most important near the test locations and decreases in importance as the travel distance increases. The uncertainty on groundwater flow rates is as important as that on matrix diffusion at downgradient locations. The risk assessment was performed to provide conservative and bounding estimates of the potential risks to human health and the environment from tritium in groundwater. Risk models were designed by coupling scenario-specific tritium intake with tritium dose models and cancer and genetic risk estimates using the Monte Carlo method. Estimated radiation doses received by individuals from chronic exposure to tritium, and the corre

A two-dimensional sediment transportmodel capable of simulating sediment resuspension of mixed (cohesive plus noncohesive) sediment is developed and applied to quantitatively simulate the March 1998 resuspension events in southern Lake Michigan. Some characteristics of the model are the capability to incorporate several floc size classes, a physically based settling velocity formula, bed armoring, and sediment availability limitation. Important resuspension parameters were estimated from field and laboratory measurement data. The model reproduced the resuspension plume (observed by the SeaWIFS satellite and field instruments) and recently measured sedimentation rate distribution (using radiotracer techniques) fairly well. Model results were verified with field measurements of suspended sediment concentration and settling flux (by ADCPs and sediment traps). Both wave conditions and sediment bed properties (critical shear stress, fine sediment fraction, and limited sediment availability or source) are the critical factors that determine the concentration distribution and width of the resuspension plume. The modeled sedimentation pattern shows preferential accumulation of sediment on the eastern side of the lake, which agrees with the observed sedimentation pattern despite a predominance of particle sources from the western shoreline. The main physical mechanisms determining the sedimentation pattern are (1) the two counter-rotating circulation gyres producing offshore mass transport along the southeastern coast during northerly wind and (2) the settling velocity of sediment flocs which controls the deposition location.

A two-dimensional sediment transportmodel capable of simulating sediment resuspension of mixed (cohesive+noncohesive) sediment is developed and applied to quantitatively simulate the March 1998 resuspension events in southern Lake Michigan. Some characteristics of the model are the capability to incorporate several floc size classes, a physically-based settling velocity formula, bed armoring, and sediment availability limitation. Important resuspension parameters were estimated from field and laboratory measurement data. The model reproduced the resuspension plume (observed by the SeaWIFS satellite and field instruments) and recently measured sedimentation rate distribution (using radiotracer techniques) fairly well. Model results were verified with field measurements of suspended sediment concentration and settling flux (by ADCPs and sediment traps). Both wave conditions and sediment bed properties (critical shear stress, fine sediment fraction, and limited sediment availability or source) are the critical factors that determine the concentration distribution and width of the resuspension plume. The modeled sedimentation pattern shows preferential accumulation of sediment on the eastern side of the lake, which agrees with the observed sedimentation pattern despite a predominance of particle sources from the western shoreline. The main physical mechanisms determining the sedimentation pattern are 1) the two counter-rotating circulation gyres producing offshore mass transport along the southeastern coast during northerly wind and 2) the settling velocity of sediment flocs which controls the deposition location.

Structure of polymer electrolytes membranes, e.g., Nafion, inside fuel cell catalyst layers has significant impact on the electrochemical activity and transport phenomena that determine cell performance. In those regions, Nafion can be found as an ultra-thin film, coating the catalyst and the catalyst support surfaces. The impact of the hydrophilic/hydrophobic character of these surfaces on the structural formation of the films and, in turn, on transport properties, has not been sufficiently explored yet. Here, we report about classical Molecular Dynamics simulations of hydrated Nafion thin-films in contact with unstructured supports, characterized by their global wetting properties only. We have investigated structure and transport in different regions of the film and found evidences of strongly heterogeneous behavior. We speculate about the implications of our work on experimental and technological activity.

Past approaches for assessing the impacts of transporting spent fuel and high-level radioactive waste have not been effectively implemented or have used relatively simple approaches. The Yucca Mountain Draft Environmental Impact Statement (DEIS) analysis considers 83 origins, 34 fuel types, 49,914 legal weight truck shipments, 10,911 rail shipments, consisting of 59,250 shipment links outside Nevada (shipment kilometers and population density pairs through urban, suburban or rural zones by state), and 22,611 shipment links in Nevada. There was additional complexity within the analysis. The analysis modeled the behavior of 41 isotopes, 1091 source terms, and used 8850 food transfer factors (distinct factors by isotope for each state). The model also considered different accident rates for legal weight truck, rail, and heavy haul truck by state, and barge by waterway. To capture the all of the complexities of the transportation analysis, a Microsoft{reg_sign} Access database was created. In the Microsoft{reg_sign} Access approach the data is placed in individual tables and equations are developed in queries to obtain the overall impacts. While the query might be applied to thousands of table entries, there is only one equation for a particular impact. This greatly simplifies the validation effort. Furthermore, in Access, data in tables can be linked automatically using query joins. Another advantage built into MS Access is nested queries, or the ability to develop query hierarchies. It is possible to separate the calculation into a series of steps, each step represented by a query. For example, the first query might calculate the number of shipment kilometers traveled through urban, rural and suburban zones for all states. Subsequent queries could join the shipment kilometers query results with another table containing the state and mode specific accident rate to produce accidents by state. One of the biggest advantages of the nested queries is in validation. Temporarily restricting the query to one origin, one shipment, or one state and validating that the query calculation is returning the expected result allows simple validation. The paper will show the flexibility of the assessment tool to consider a wide variety of impacts. Through the use of pre-designed queries, impacts by origin, mode, fuel type or many other parameters can be obtained.

The over-reaching goal of the Groundwater Grand Challenge component of the Partnership in Computational Science (PICS) was to develop and establish the massively parallel approach for the description of groundwater flow and transport and to address the problem of uncertainties in the data and its interpretation. This necessitated the development of innovative algorithms and the implementation of massively parallel computational tools to provide a suite of simulators for groundwater flow and transport in heterogeneous media. This report summarizes the activities and deliverables of the Groundwater Grand Challenge project funded through the High Performance Computing grand challenge program of the Department of Energy from 1995 through 1997.

Nuclear weapons proliferation is an existing and growing worldwide problem. To help with devising strategies and supporting decisions to interdict the transport of nuclear material, we developed the Pathway Analysis, Threat Response and Interdiction Options Tool (PATRIOT) that provides an analytical approach for evaluating the probability that an adversary smuggling radioactive or special nuclear material will be detected during transit. We incorporate a global, multi-modal transportation network, explicit representation of designed and serendipitous detection opportunities, and multiple threat devices, material types, and shielding levels. This paper presents the general structure of PATRIOT, and focuses on the theoretical framework used to model the reliabilities of all network components that are used to predict the most likely pathways to the target.

Nuclear weapons proliferation is an existing and growing worldwide problem. To help with devising strategies and supporting decisions to interdict the transport of nuclear material, we developed the Pathway Analysis, Threat Response and Interdiction Options Tool (PATRIOT) that provides an analytical approach for evaluating the probability that an adversary smuggling radioactive or special nuclear material will be detected during transit. We incorporate a global, multi-modal transportation network, explicit representation of designed and serendipitous detection opportunities, and multiple threat devices, material types, and shielding levels. This paper presents the general structure of PATRIOT, all focuses on the theoretical framework used to model the reliabilities of all network components that are used to predict the most likely pathways to the target.

Charge transport through a short DNA oligomer (Dickerson dodecamer) in presence of structural fluctuations is investigated using a hybrid computational methodology based on a combination of quantum mechanical electronic structure calculations and classical molecular dynamics simulations with a model Hamiltonian approach. Based on a fragment orbital description, the DNA electronic structure can be coarse-grained in a very efficient way. The influence of dynamical fluctuations arising either from the solvent fluctuations or from base-pair vibrational modes can be taken into account in a straightforward way through time series of the effective DNA electronic parameters, evaluated at snapshots along the MD trajectory. We show that charge transport can be promoted through the coupling to solvent fluctuations, which gate the onsite energies along the DNA wire.

We present a hybrid method based on a combination of quantum/classical molecular dynamics (MD) simulations and a mod el Hamiltonian approach to describe charge transport through bio-molecular wires with variable lengths in presence o f a solvent. The core of our approach consists in a mapping of the bio-molecular electronic structure, as obtained f rom density-functional based tight-binding calculations of molecular structures along MD trajectories, onto a low di mensional model Hamiltonian including the coupling to a dissipative bosonic environment. The latter encodes fluctuat ion effects arising from the solvent and from the molecular conformational dynamics. We apply this approach to the c ase of pG-pC and pA-pT DNA oligomers as paradigmatic cases and show that the DNA conformational fluctuations are essential in determining and supporting charge transport.

The groundwater flow and radionuclide transportmodel characterizing the Shoal underground nuclear test has been accepted by the State of Nevada Division of Environmental Protection. According to the Federal Facility Agreement and Consent Order (FFACO) between DOE and the State of Nevada, the next steps in the closure process for the site are then model validation (or postaudit), the proof-of-concept, and the long-term monitoring stage. This report addresses the development of the validation strategy for the Shoal model, needed for preparing the subsurface Corrective Action Decision Document-Corrective Action Plan and the development of the proof-of-concept tools needed during the five-year monitoring/validation period. The approach builds on a previous model, but is adapted and modified to the site-specific conditions and challenges of the Shoal site.

EFFECTS OF PORE-SCALE VELOCITY AND PORE-SCALE PHYSICAL PROCESSES ON CONTAMINANT BIODEGRADATION DURING TRANSPORT IN GROUNDWATER: MODELING AND EXPERIMENTS A Dissertation by ITZA MENDOZA SANCHEZ Submitted to the Office... PROCESSES ON CONTAMINANT BIODEGRADATION DURING TRANSPORT IN GROUNDWATER: MODELING AND EXPERIMENTS A Dissertation by ITZA MENDOZA SANCHEZ Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment...

EFFECTS OF PORE-SCALE VELOCITY AND PORE-SCALE PHYSICAL PROCESSES ON CONTAMINANT BIODEGRADATION DURING TRANSPORT IN GROUNDWATER: MODELING AND EXPERIMENTS A Dissertation by ITZA MENDOZA SANCHEZ Submitted to the Office... PROCESSES ON CONTAMINANT BIODEGRADATION DURING TRANSPORT IN GROUNDWATER: MODELING AND EXPERIMENTS A Dissertation by ITZA MENDOZA SANCHEZ Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment...

be arbitrary; here, only cases with periodic waves are presented. We discuss wave induced boundary-layer flows to date has usually been based on specifying a simple oscillatory flow to force the sediment transport Fully Nonlinear Potential Flow (FNPF) equations, based on a higher-order Boundary Element Method (BEM

in groundwater to be related to the saturation deficit in this zone. A positive correlation between the average and have emphasized the need for a rational, nonempirical approach for the identification stream water chemistry can provide valuable insight into the transport of dissolved materials

transport in porous materials like ceramics, concrete, soils, and rocks plays an impor- tant role in many geometries like porous materials. Here, we review some of our previous work and discuss some recent environmental and technological processes [11.For example, the service life and durability of concrete can

The purpose of this report is to develop and analyze the engineered barrier system (EBS) radionuclide transport abstraction model, consistent with Level I and Level II model validation, as identified in Technical Work Plan for: Near-Field Environment and Transport: Engineered Barrier System: Radionuclide Transport Abstraction Model Report Integration (BSC 2005 [DIRS 173617]). The EBS radionuclide transport abstraction (or EBS RT Abstraction) is the conceptual model used in the total system performance assessment (TSPA) to determine the rate of radionuclide releases from the EBS to the unsaturated zone (UZ). The EBS RT Abstraction conceptual model consists of two main components: a flow model and a transportmodel. Both models are developed mathematically from first principles in order to show explicitly what assumptions, simplifications, and approximations are incorporated into the models used in the TSPA. The flow model defines the pathways for water flow in the EBS and specifies how the flow rate is computed in each pathway. Input to this model includes the seepage flux into a drift. The seepage flux is potentially split by the drip shield, with some (or all) of the flux being diverted by the drip shield and some passing through breaches in the drip shield that might result from corrosion or seismic damage. The flux through drip shield breaches is potentially split by the waste package, with some (or all) of the flux being diverted by the waste package and some passing through waste package breaches that might result from corrosion or seismic damage. Neither the drip shield nor the waste package survives an igneous intrusion, so the flux splitting submodel is not used in the igneous scenario class. The flow model is validated in an independent model validation technical review. The drip shield and waste package flux splitting algorithms are developed and validated using experimental data. The transportmodel considers advective transport and diffusive transport from a breached waste package. Advective transport occurs when radionuclides that are dissolved or sorbed onto colloids (or both) are carried from the waste package by the portion of the seepage flux that passes through waste package breaches. Diffusive transport occurs as a result of a gradient in radionuclide concentration and may take place while advective transport is also occurring, as well as when no advective transport is occurring. Diffusive transport is addressed in detail because it is the sole means of transport when there is no flow through a waste package, which may dominate during the regulatory compliance period in the nominal and seismic scenarios. The advective transport rate, when it occurs, is generally greater than the diffusive transport rate. Colloid-facilitated advective and diffusive transport is also modeled and is presented in detail in Appendix B of this report.

We present a pore scale model of a solid oxide fuel cell (SOFC) cathode. Volatile chromium species are known to migrate from the current collector of the SOFC into the cathode where over time they decrease the voltage output of the fuel cell. A pore scale model is used to investigate the reactive transport of chromium species in the cathode and to study the driving forces of chromium poisoning. A multi-scale modeling approach is proposed which uses a cell level model of the cathode, air channel and current collector to determine the boundary conditions for a pore scale model of a section of the cathode. The pore scale model uses a discrete representation of the cathode to explicitly model the surface reactions of oxygen and chromium with a cathode material. The pore scale model is used to study the reaction mechanisms of chromium by considering the effects of reaction rates, diffusion coefficients, chromium vaporization, and oxygen consumption on chromium’s deposition in the cathode. The study shows that chromium poisoning is most significantly affected by the chromium reaction rates in the cathode and that the reaction rates are a function of the local current density in the cathode.

This report is divided into two parts. The second part is divided into the following sections: experimental protocol; modeling the hollow fiber extractor using film theory; Graetz model of the hollow fiber membrane process; fundamental diffusive-kinetic model; and diffusive liquid membrane device-a rigorous model. The first part is divided into: membrane and membrane process-a concept; metal extraction; kinetics of metal extraction; modeling the membrane contactor; and interfacial phenomenon-boundary conditions-applied to membrane transport.

Tritium behavior in the breeder/coolant plays a crucial role in keeping the tritium loss under an allowable limit and realizing high tritium recovery efficiency. In this paper, progress toward the development of a comprehensive 3D predictive capability is discussed and presented. The sequence of transport processes leading to tritium release includes diffusion and convection through the PbLi, transfer across the liquid/solid interface, diffusion of atomic tritium through the structure, and dissolution-recombination at the solid/gas interface. Numerical simulation of the coupled individual physics phenomena of tritium transport is performed for DCLL/HCLL type breeder blankets under realistic reactor-like conditions in this paper. Tritium concentration and permeation are presented and the MHD effects are evaluated. Preliminary results shows that the MHD velocity profile has the significant effect in preventing tritium permeation due to the higher convection effects near the wall.

We studied the relation between the initial geometry anisotropy and the anisotropic flow in a multiphase transportmodel (AMPT) for both Au+Au and Cu+Cu collisions at $\\sqrt{s_{NN}}$ = 200 GeV. It is found that unlike the elliptic flow $v_2$, little centrality dependence of the triangular flow $v_3$ is observed. After removing the initial geometry effect, $v_3/\\epsilon_3$ increases with the transverse particle density, which is similar to $v_2/\\epsilon_2$. The transverse momentum ($p_T$) dependence of $v_3$ from identified particles is qualitatively similar to the $p_T$ dependence of $v_2$.

Recent efforts in cosmic ray (CR) confinement and transport theory are discussed. Three problems are addressed as being crucial for understanding the present day observations and their possible telltale signs of the CR origin. The first problem concerns CR behavior right after their release from a source, such as a supernova remnant (SNR). At this phase the CRs are confined near the source by self-emitted Alfven waves. The second is the problem of diffusive propagation of CRs through the turbulent ISM. This is a seemingly straightforward and long-resolved problem, but it remains controversial and reveals paradoxes. A resolution based on the Chapman-Enskog asymptotic CR transport analysis, that also includes magnetic focusing, is suggested. The third problem is about a puzzling sharp ($\\sim10^{\\circ}$) anisotropies in the CR arrival directions that might bear on important clues of their transport between the source and observer. The overarching goal is to improve our understanding of all aspects of the CR's so...

Prolonged delays in traffic experienced by Laboratory personnel during a recent early dismissal in inclement weather, coupled with reconstruction efforts along NM 502 east of the White Rock Wye for the next 1 to 2 years, has prompted Los Alamos National Laboratory (LANL) to re-evaluate and improve the present transportation plan and its integration with contingency plans maintained in other organizations. Facilities planners and emergency operations staff need to evaluate the transportation system`s capability to inefficiently and safely evacuate LANL under different low-level emergency conditions. A variety of potential procedures governing the release of employees from the different technical areas (TAs) requires evaluation, perhaps with regard to multiple emergency-condition scenarios, with one or more optimal procedures ultimately presented for adoption by Lab Management. The work undertaken in this project will hopefully lay a foundation for an on-going, progressive transportation system analysis capability. It utilizes microscale simulation techniques to affirm, reassess and validate the Laboratory`s Early Dismissal/Closure/Delayed Opening Plan. The Laboratory is required by Federal guidelines, and compelled by prudent practice and conscientious regard for the welfare of employees and nearby residents, to maintain plans and operating procedures for evacuation if the need arises. The tools developed during this process can be used outside of contingency planning. It is anticipated that the traffic models developed will allow site planners to evaluate changes to the traffic network which could better serve the normal traffic levels. Changes in roadway configuration, control strategies (signalization and signing), response strategies to traffic accidents, and patterns of demand can be modelled using the analysis tools developed during this project. Such scenarios typically are important considerations in master planning and facilities programming.

The Yucca Flat-Climax Mine Corrective Action Unit (CAU) on the Nevada Test Site comprises 747 underground nuclear detonations, all but three of which were conducted in alluvial, volcanic, and carbonate rocks in Yucca Flat. The remaining three tests were conducted in the very different hydrogeologic setting of the Climax Mine granite stock located in Area 15 at the northern end of Yucca Flat. As part of the Corrective Action Investigation (CAI) for the Yucca Flat-Climax Mine CAU, models of groundwater flow and radionuclide transport will be developed for Yucca Flat. However, two aspects of these CAU-scale models require focused modeling at the northern end of Yucca Flat beyond the capability of these large models. First, boundary conditions and boundary flows along the northern reaches of the Yucca Flat-Climax Mine CAU require evaluation to a higher level of detail than the CAU-scale Yucca Flat model can efficiently provide. Second, radionuclide fluxes from the Climax tests require analysis of flow and transport in fractured granite, a unique hydrologic environment as compared to Yucca Flat proper. This report describes the Climax Mine sub-CAU modeling studies conducted to address these issues, with the results providing a direct feed into the CAI for the Yucca Flat-Climax Mine CAU. Three underground nuclear detonations were conducted for weapons effects testing in the Climax stock between 1962 and 1966: Hard Hat, Pile Driver, and Tiny Tot. Though there is uncertainty regarding the position of the water table in the stock, it is likely that all three tests were conducted in the unsaturated zone. In the early 1980s, the Spent Fuel Test-Climax (SFT-C) was constructed to evaluate the feasibility of retrievable, deep geologic storage of commercial nuclear reactor wastes. Detailed mapping of fractures and faults carried out for the SFT-C studies greatly expanded earlier data sets collected in association with the nuclear tests and provided invaluable information for subsequent modeling studies at Climax. The objectives of the Climax Mine sub-CAU work are to (1) provide simulated heads and groundwater flows for the northern boundaries of the Yucca Flat-Climax Mine CAU model, while incorporating alternative conceptualizations of the hydrogeologic system with their associated uncertainty, and (2) provide radionuclide fluxes from the three tests in the Climax stock using modeling techniques that account for groundwater flow in fractured granite. Meeting these two objectives required two different model scales. The northern boundary groundwater fluxes were addressed using the Death Valley Regional Flow System (DVRFS) model (Belcher, 2004) developed by the U.S. Geological Survey as a modeling framework, with refined hydrostratigraphy in a zone north of Yucca Flat and including Climax stock. Radionuclide transport was simulated using a separate model confined to the granite stock itself, but linked to regional groundwater flow through boundary conditions and calibration targets.

A set of groundwater flow and transportmodels were created for the Central Testing Area of Frenchman Flat at the former Nevada Test Site to investigate the long-term consequences of a radionuclide migration experiment that was done between 1975 and 1990. In this experiment, radionuclide migration was induced from a small nuclear test conducted below the water table by pumping a well 91 m away. After radionuclides arrived at the pumping well, the contaminated effluent was discharged to an unlined ditch leading to a playa where it was expected to evaporate. However, recent data from a well near the ditch and results from detailed models of the experiment by LLNL personnel have convincingly demonstrated that radionuclides from the ditch eventually reached the water table some 220 m below land surface. The models presented in this paper combine aspects of these detailed models with concepts of basin-scale flow to estimate the likely extent of contamination resulting from this experiment over the next 1,000 years. The models demonstrate that because regulatory limits for radionuclide concentrations are exceeded only by tritium and the half-life of tritium is relatively short (12.3 years), the maximum extent of contaminated groundwater has or will soon be reached, after which time the contaminated plume will begin to shrink because of radioactive decay. The models also show that past and future groundwater pumping from water supply wells within Frenchman Flat basin will have negligible effects on the extent of the plume.

This report documents a training course conducted for the US Nuclear Regulatory Commission (NRC) on the implementation of a Finite Element Model of WASTE transport through saturated-unsaturated porous media (FEMWASTE) - ORNL-5601. In addition to presenting basic program operations (Appendices A-V through A-VII), the course also covers the following topics: (1) Heuristic derivation of governing equations based on physical and chemical principles, (2) finite element derivation of FEMWASTE, (3) various numerical schemes provided by FEMWASTE, (4) FEMWASTE program structure, and (5) running of three samples problems to demonstrate various options the FEMWASTE can handle. The purpose of the training seminar is to enable NRC staff to use the model (and to be able to modify the code, if necessary) for checking information provided by a licensee, for evaluating alternative sites and designs for burial, and for comparing their results from other methods of solution.

This paper presents a numerical modeling study for simulating in-stream tidal energy extraction and assessing its effects on the hydrodynamics and transport processes in a tidal channel and bay system connecting to coastal ocean. A marine and hydrokinetic (MHK) module was implemented in a three-dimensional (3-D) coastal ocean model using the momentum sink approach. The MHK model was validated with the analytical solutions for tidal channels under one-dimensional (1-D) conditions. Model simulations were further carried out to compare the momentum sink approach with the quadratic bottom friction approach. The effects of 3-D simulations on the vertical velocity profile, maximum extractable energy, and volume flux reduction across the channel were investigated through a series of numerical experiments. 3-D model results indicate that the volume flux reduction at the maximum extractable power predicted by the 1-D analytical model or two-dimensional (2-D) depth-averaged numerical model may be overestimated. Maximum extractable energy strongly depends on the turbine hub height in the water column, and which reaches a maximum when turbine hub height is located at mid-water depth. Far-field effects of tidal turbines on the flushing time of the tidal bay were also investigated. Model results demonstrate that tidal energy extraction has a greater effect on the flushing time than volume flux reduction, which could negatively affect the biogeochemical processes in estuarine and coastal waters that support primary productivity and higher forms of marine life.

In this case study, groundwater/surface water modeling was used to determine efficacy of stabilization in place with hydrologic isolation for remediation of mercury contaminated areas in the Upper East Fork Poplar Creek (UEFPC) Watershed in Oak Ridge, TN. The modeling simulates the potential for mercury in soil to contaminate groundwater above industrial use risk standards and to contribute to surface water contamination. The modeling approach is unique in that it couples watershed hydrology with the total mercury transport and provides a tool for analysis of changes in mercury load related to daily precipitation, evaporation, and runoff from storms. The model also allows for simulation of colloidal transport of total mercury in surface water. Previous models for the watershed only simulated average yearly conditions and dissolved concentrations that are not sufficient for predicting mercury flux under variable flow conditions that control colloidal transport of mercury in the watershed. The transport of mercury from groundwater to surface water from mercury sources identified from information in the Oak Ridge Environmental Information System was simulated using a watershed scale model calibrated to match observed daily creek flow, total suspended solids and mercury fluxes. Mercury sources at the former Building 81-10 area, where mercury was previously retorted, were modeled using a telescopic refined mesh with boundary conditions extracted from the watershed model. Modeling on a watershed scale indicated that only source excavation for soils/sediment in the vicinity of UEFPC had any effect on mercury flux in surface water. The simulations showed that colloidal transport contributed 85 percent of the total mercury flux leaving the UEFPC watershed under high flow conditions. Simulation of dissolved mercury transport from liquid elemental mercury and adsorbed sources in soil at former Building 81-10 indicated that dissolved concentrations are orders of magnitude below a target industrial groundwater concentration beneath the source and would not influence concentrations in surface water at Station 17. This analysis addressed only shallow concentrations in soil and the shallow groundwater flow path in soil and unconsolidated sediments to UEFPC. Other mercury sources may occur in bedrock and transport though bedrock to UEFPC may contribute to the mercury flux at Station 17. Generally mercury in the source areas adjacent to the stream and in sediment that is eroding can contribute to the flux of mercury in surface water. Because colloidally adsorbed mercury can be transported in surface water, actions that trap colloids and or hydrologically isolate surface water runoff from source areas would reduce the flux of mercury in surface water. Mercury in soil is highly adsorbed and transport in the groundwater system is very limited under porous media conditions. (authors)

Modelling karstic aquifers is problematic because the equation of references (i.e. Darcy) is adapted: i) the Darcy law used to describe the hydraulic behaviour of massive limestone, and ii) the equationDevelopment of a Darcy- Brinkman model to simulate water flow and tracer transport

The objective of this study was to develop a water quality model to quantify nonpoint-source (NPS) pollution that uses a geographic information system (GIS) to link statistical modeling of nutrient and sediment delivery with the spatial arrangement of the parameters that drive the model. The model predicts annual nutrient and sediment loading and was developed, calibrated, and tested on 12 watersheds within the Lake Ray Roberts drainage basin in north Texas. Three physiographic regions are represented by these watersheds, and model success, as measured by the accuracy of load estimates, was compared within and across these regions.

Possible means of reducing atmospheric CO{sub 2} emissions include injecting CO{sub 2} in petroleum reservoirs for Enhanced Oil Recovery or storing CO{sub 2} in deep saline aquifers. Large-scale injection of CO{sub 2} into subsurface reservoirs would induce a complex interplay of multiphase flow, capillary trapping, dissolution, diffusion, convection, and chemical reactions that may have significant impacts on both short-term injection performance and long-term fate of CO{sub 2} storage. Reactive TransportModeling is a promising approach that can be used to predict the spatial and temporal evolution of injected CO{sub 2} and associated gas-fluid-rock interactions. This presentation will summarize recent advances in reactive transportmodeling of CO{sub 2} storage and review key technical issues on (1) the short- and long-term behavior of injected CO{sub 2} in geological formations; (2) the role of reservoir mineral heterogeneity on injection performance and storage security; (3) the effect of gas mixtures (e.g., H{sub 2}S and SO{sub 2}) on CO{sub 2} storage; and (4) the physical and chemical processes during potential leakage of CO{sub 2} from the primary storage reservoir. Simulation results suggest that CO{sub 2} trapping capacity, rate, and impact on reservoir rocks depend on primary mineral composition and injecting gas mixtures. For example, models predict that the injection of CO{sub 2} alone or co-injection with H{sub 2}S in both sandstone and carbonate reservoirs lead to acidified zones and mineral dissolution adjacent to the injection well, and carbonate precipitation and mineral trapping away from the well. Co-injection of CO{sub 2} with H{sub 2}S and in particular with SO{sub 2} causes greater formation alteration and complex sulfur mineral (alunite, anhydrite, and pyrite) trapping, sometimes at a much faster rate than previously thought. The results from Reactive TransportModeling provide valuable insights for analyzing and assessing the dynamic behaviors of injected CO{sub 2}, identifying and characterizing potential storage sites, and managing injection performance and reducing costs.

The Phebus and VERCORS data have played an important role in contemporary understanding and modeling of fission product release and transport from damaged light water reactor fuel. The data from these test programs have allowed improvement of MELCOR modeling of release and transport processes for both low enrichment uranium fuel as well as high burnup and mixed oxide (MOX) fuels. This paper discusses the synthesis of these findings in the MELCOR severe accident code. Based on recent assessments of MELCOR 1.8.5 fission product release modeling against the Phebus FPT-1 test and on observations from the ISP-46 exercise, modifications to the default MELCOR 1.8.5 release models are recommended. The assessments identified an alternative set of Booth diffusion parameters recommended by ORNL (ORNL-Booth), which produced significantly improved release predictions for cesium and other fission product groups. Some adjustments to the scaling factors in the ORNL-Booth model were made for selected fission product groups, including UO{sub 2}, Mo and Ru in order to obtain better comparisons with the FPT-1 data. The adjusted model, referred to as 'Modified ORNL-Booth,' was subsequently compared to original ORNL VI fission product release experiments and to more recently performed French VERCORS tests, and the comparisons was as favorable or better than the original CORSOR-M MELCOR default release model. These modified ORNL-Booth parameters, input to MELCOR 1.8.5 as 'sensitivity coefficients' (i.e. user input that over-rides the code defaults) are recommended for the interim period until improved release models can be implemented into MELCOR. For the case of ruthenium release in air-oxidizing conditions, some additional modifications to the Ru class vapor pressure are recommended based on estimates of the RuO{sub 2} vapor pressure over mildly hyperstoichiometric UO{sub 2}. The increased vapor pressure for this class significantly increases the net transport of Ru from the fuel to the gas stream. A formal model is needed. Deposition patterns in the Phebus FPT-1 circuit were also significantly improved by using the modified ORNL-Booth parameters, where retention of lower volatile Cs{sub 2}MoO{sub 4} is now predicted in the heated exit regions of the FPT-1 test, bringing down depositions in the FPT-1 steam generator tube to be in closer alignment with the experimental data. This improvement in 'RCS' deposition behavior preserves the overall correct release of cesium to the containment that was observed even with the default CORSOR-M model. Not correctly treated however is the release and transport of Ag to the FPT-1 containment. A model for Ag release from control rods is presently not available in MELCOR. Lack of this model is thought to be responsible for the underprediction by a factor of two of the total aerosol mass to the FPT-1 containment. It is suggested that this underprediction of airborne mass led to an underprediction of the aerosol agglomeration rate. Underprediction of the agglomeration rate leads to low predictions of the aerosol particle size in comparison to experimentally measured ones. Small particle size leads low predictions of the gravitational settling rate relative to the experimental data. This error, however, is a conservative one in that too-low settling rate would result in a larger source term to the environment. Implementation of an interim Ag release model is currently under study. In the course of this assessment, a review of MELCOR release models was performed and led to the identification of several areas for future improvements to MELCOR. These include upgrading the Booth release model to account for changes in local oxidizing/reducing conditions and including a fuel oxidation model to accommodate effects of fuel stoichiometry. Models such as implemented in the French ELSA code and described by Lewis are considered appropriate for MELCOR. A model for ruthenium release under air oxidizing conditions is also needed and should be included as part of a fuel oxidation model since fuel stoichiometry is a fundamen

Current climate models generally under-predict the surface concentration of black carbon (BC) in the Arctic due to the uncertainties associated with emissions, transport, and removal. This bias is also present in the Community Atmosphere Model Version 5.1 (CAM5). In this study, we investigate the uncertainty of Arctic BC due to transport processes simulated by CAM5 by configuring the model to run in an “offline mode” in which the large-scale circulations are prescribed. We compare the simulated BC transport when the offline model is driven by the meteorology predicted by the standard free-running CAM5 with simulations where the meteorology is constrained to agree with reanalysis products. Some circulation biases are apparent: the free-running CAM5 produces about 50% less transient eddy transport of BC than the reanalysis-driven simulations, which may be attributed to the coarse model resolution insufficient to represent eddies. Our analysis shows that the free-running CAM5 reasonably captures the essence of the Arctic Oscillation (AO), but some discernable differences in the spatial pattern of the AO between the free-running CAM5 and the reanalysis-driven simulations result in significantly different AO modulation of BC transport over Northeast Asia and Eastern Europe. Nevertheless, we find that the overall climatological circulation patterns simulated by the free-running CAM5 generally resembles those from the reanalysis products, and BC transport is very similar in both simulation sets. Therefore, the simulated circulation features regulating the long-range BC transport is unlikely the most important cause of the large under-prediction of surface BC concentration in the Arctic.

The PAT-2 package is designed for the safe transport of plutonium and/or uranium in small quantities. The PAT-2 package is resistant to severe accidents, including that of a high-speed jet aircraft crash, and is designed to withstand such environments as extreme impact, crushing, puncturing and slashing loads, severe hydrocarbon-fueled fires, and deep underwater immersion, with no escape of contents. The package meets the requirements of 10 CFR 71 for Fissile Class I packages with a cargo of 15 grams of Pu-239, or other isotopic forms described herein, not to exceed 2 watts of thermal activity. This SAR presents design and oprational information including evaluations and analyses, test results, operating procedures, maintenance, and quality assurance information.

The multiplicity and elliptic flow of charged particles produced in Pb-Pb collisions at center of mass energy $\\sqrt{s_{NN}}=2.76$ TeV from the Large Hadron Collider are studied in a multiphase transport (AMPT) model. With the standard parameters in the HIJING model, which is used as initial conditions for subsequent partonic and hadronic scatterings in the AMPT model, the resulting multiplicity of final charged particles at mid-pseudorapidity is consistent with the experimental data measured by the ALICE Collaboration. This value is, however, increased by about 25% if the final-state partonic and hadronic scatterings are turned off. Because of final-state scatterings, particular those among partons, the final elliptic flow of charged hadrons is also consistent with the ALICE data if a smaller but more isotropic parton scattering cross section than previously used in the AMPT model for describing the charged hadron elliptic flow in heavy ion collisions at the Relativistic Heavy Ion Collider is used. The resulting transverse momentum spectra of charged particles as well as the centrality dependence of their multiplicity density and the elliptic flow are also in reasonable agreement with the ALICE data. Furthermore, the multiplicities, transverse momentum spectra and elliptic flows of identified hadrons such as protons, kaons and pions are predicted.

fuelled the extension of supply chains and the globalization of the world economy. At the micro-step modelling paradigm cannot provide adequate answers in the twenty-first century global customer-driven economy. This special issue is dedicated to innovative modelling efforts that provide new insights

The Hydrogen Macro System Model (MSM) is a simulation tool that links existing and emerging hydrogen-related models to perform rapid, cross-cutting analysis. It allows analysis of the economics, primary energy-source requirements, and emissions of hydrogen production and delivery pathways.

fusion plasma research and it is still far from being understood. It is composed of several elements. Garcia, V. Naulin, and A. H. Nielsen Association EURATOM-RisÃ¸ National Laboratory Optics and Plasma Research, OPL-128 RisÃ¸ DK-4000 Roskilde, Denmark (Dated: June 24, 2005) Abstract The transport of particles

The availability and easy production of toxic chemical and biological agents by domestic and international terrorists pose a serious threat to US national security, especially to civilian populations in and around urban areas. To address this threat, the Department of Energy (DOE) has established the Chemical and Biological Nonproliferation Program (CBNP) with the goal of focusing the DOE`s technical resources and expertise on capabilities to deny, deter, mitigate and respond to clandestine releases of chemical and biological agents. With the intent to build on DOE core competencies, the DOE has established six technology thrust areas within the CBNP Program: Biological Information Resources; Point Sensor Systems; Stand-off Detection; Transport and Fate; Decontamination; and Systems Analysis and Integration. The purpose of the Transport and Fate Thrust is to accurately predict the dispersion, concentration and ultimate fate of chemical and biological agents released into the urban and suburban environments and has two major goals: (1) to develop an integrated and validated state-of-the-art atmospheric transport and fate modeling capability for chemical and biological agent releases within the complex urban environment from the regional scale down to building and subway interiors, and (2) to apply this modeling capability in a broad range of simulation case studies of chemical and biological agent release scenarios in suburban, urban and confined (buildings and subways) environments and provide analysis for the incident response user community. Sections of this report discuss subway transport and fate models; buildings interior transport and fate modeling; models for flow and transport around buildings; and local-regional meteorology and dispersion models.

This study compares experimental measurements and numerical simulations of liquid droplets over heated (to a near surface temperature of 423 K) and unheated cylinders. The numerical model is based on an unsteady Reynolds-averaged Navier-Stokes (RANS) formulation using a stochastic separated flow (SSF) approach for the droplets that includes submodels for droplet dispersion, heat and mass transfer, and impact on a solid surface. The details of the droplet impact model are presented and the model is used to simulate water spray impingement on a cylinder. Computational results are compared with experimental measurements using phase Doppler interferometry (PDI).

Dihadron azimuthal correlations in Au+Au collisions at $\\sqrt{S_{NN}}$=200 GeV have been explored by using a multi-phase transport (AMPT) model. In order to obtain the contributions from jet-medium interactions, the combined harmonic flow background is subtracted from the raw dihadron correlation functions. The signals are compared in three associated transverse momentum ($p_{T}^{assoc}$) bins: 0.2-0.8 GeV/c, 0.8-1.4 GeV/c and 1.4-2.0 GeV/c from central to semi-peripheral geometries. The medium modifications are observed from changes in the signal shape and the relative jet contribution has been obtained within the change in the centrality from peripheral to central one. A strong $p_{T}^{assoc}$ dependence of the RMS width of jet correlation function is observed within the central geometry bin, i.e. 0-10$%$.

Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

A SOLUTE TRANSPORTMODEL CALIBRATION PROCEDURE AS APPLIED TO A TRITIUM PLUME IN THE SAVANNAH RIVER PLANT F-AREA, SOUTH CAROLINA A Thesis by DAVID ARTHUR EDWARDS Submitted to the Graduate College of Texas ARM University in partial fulfilment... of the requhements for the degree of MASTER OF SCIENCE May 1988 Major Subject: Geology A SOLUTE TRANSPORTMODEL CALIBRATION PROCEDURE AS APPLIED TO A TRITII JM PLUME IN THE SAVANNAH RIVER PLANT F-AREA, SOUTH CAROLINA A Thesis by DAVID ARTHUR EDWARDS...

Two of the most important chemically reactive tropospheric gases are ozone (O{sub 3}) and the hydroxyl radical (OH). Although ozone in the stratosphere is a necessary protector against the sun`s radiation, tropospheric ozone is actually a pollutant which damages materials and vegetation, acts as a respiratory irritant, and is a greenhouse gas. One of the two main sources of ozone in the troposphere is photochemical production. The photochemistry is initiated when hydrocarbons and carbon monoxide (CO) react with nitrogen oxides (NO{sub x} = NO + NO{sub 2}) in the presence of sunlight. Reaction with the hydroxyl radical, OH, is the main sink for many tropospheric gases. The hydroxyl radical is highly reactive and has a lifetime on the order of seconds. Its formation is initiated by the photolysis of tropospheric ozone. Tropospheric chemistry involves a complex, non-linear set of chemical reactions between atmospheric species that vary substantially in time and space. To model these and other species on a global scale requires the use of a global, three-dimensional chemistry, transport, and deposition (CTD) model. In this work, I developed two such three dimensional CTD models. The first model incorporated the chemistry necessary to model tropospheric ozone production from the reactions of nitrogen oxides with carbon monoxide (CO) and methane (CH{sub 4}). The second also included longer-lived alkane species and the biogenic hydrocarbon isoprene, which is emitted by growing plants and trees. The models` ability to predict a number of key variables (including the concentration of O{sub 3}, OH, and other species) were evaluated. Then, several scenarios were simulated to understand the change in the chemistry of the troposphere since preindustrial times and the role of anthropogenic NO{sub x} on present day conditions.

A well-known challenge in computable general equilibrium (CGE) models is to maintain correspondence between the forecasted economic and physical quantities over time. Maintaining such a correspondence is necessary to ...

A surface impoundment model by finite-difference (SIMFD) has been developed. SIMFD computes the flow rate, velocity field, and the concentration distribution of pollutants in surface impoundments with any number of islands located within the region of interest. Theoretical derivations and numerical algorithm are described in detail. Instructions for the application of SIMFD and listings of the FORTRAN IV source program are provided. Two sample problems are given to illustrate the application and validity of the model.

This report describes research by George Schatz and Mark Ratner that was done over the period 10/03-5/09 at Northwestern University. This research project was part of a larger research project with the same title led by Stephen Gray at Argonne. A significant amount of our work involved collaborations with Gray, and there were many joint publications as summarized later. In addition, a lot of this work involved collaborations with experimental groups at Northwestern, Argonne, and elsewhere. The research was primarily concerned with developing theory and computational methods that can be used to describe the interaction of light with noble metal nanoparticles (especially silver) that are capable of plasmon excitation. Classical electrodynamics provides a powerful approach for performing these studies, so much of this research project involved the development of methods for solving Maxwell’s equations, including both linear and nonlinear effects, and examining a wide range of nanostructures, including particles, particle arrays, metal films, films with holes, and combinations of metal nanostructures with polymers and other dielectrics. In addition, our work broke new ground in the development of quantum mechanical methods to describe plasmonic effects based on the use of time dependent density functional theory, and we developed new theory concerned with the coupling of plasmons to electrical transport in molecular wire structures. Applications of our technology were aimed at the development of plasmonic devices as components of optoelectronic circuits, plasmons for spectroscopy applications, and plasmons for energy-related applications.

The Savannah River Site (SRS) is a Department of Energy (DOE) facility located near Aiken, South Carolina which is currently operated and managed by Westinghouse Savannah River Company (WSRC). The Sanitary Landfill (Sanitary Landfill) at the SRS is located approximately 2,000 feet Northwest of Upper Three Runs Creek (UTRC) on an approximately 70 acre site located south of Road C between the SRS B-Area and UTRC. The Sanitary Landfill has been receiving wastes since 1974 and operates as an unlined trench and fill operation. The original landfill site was 32 acres. This area reached its capacity around 1987 and a Northern Expansion of 16 acres and a Southern Expansion of 22 acres were added in 1987. The Northern Expansion has not been used for waste disposal to date and the Southern Expansion is expected to reach capacity in 1992 or 1993. The waste received at the Sanitary Landfill is predominantly paper, plastics, rubber, wood, metal, cardboard, rags saturated with degreasing solvents, pesticide bags, empty cans, and asbestos in bags. The landfill is not supposed to receive any radioactive wastes. However, tritium has been detected in the groundwater at the site. Gross alpha and gross beta are also evaluated at the landfill. The objectives of this modeling study are twofold: (1) to create a local scale Sanitary Landfill flow model to study hydraulic effects resulting from capping the Sanitary Landfill; and (2) to create a Sanitary Landfill local scale transportmodel to support ACL Demonstrations for a RCRA Part B Permit Renewal.

The ultimate aim of a description of iodine behavior in severe LWR accidents is a time-dependent accounting of iodine species released into containment and to the environment. Factors involved in the behavior of iodine can be conveniently divided into four general categories: (1) initial release into containment, (2) interaction of iodine species in containment not directly involving water pools, (3) interaction of iodine species in, or with, water pools, and (4) interaction with special systems such as ice condensers or gas treatment systems. To fill the large gaps in knowledge and to provide a means for assaying the iodine source term, this program has proceeded along two paths: (1) Experimental studies of the chemical behavior of iodine under containment conditions. (2) Development of TRENDS (Transport and Retention of Nuclides in Dominant Sequences), a computer code for modeling the behavior of iodine in containment and its release from containment. The main body of this report consists of a description of TRENDS. These two parts to the program are complementary in that models within TRENDS use data that were produced in the experimental program; therefore, these models are supported by experimental evidence that was obtained under conditions expected in severe accidents. 7 refs., 1 fig., 2 tabs.

In more than three decades, a large amount of models and mechanisms have been proposed to describe a very beneficial feature of magnetically confined fusion plasmas: the L-H transition. Bifurcation theory can be used to compare these different models based on their dynamical transition structure. In this paper, we employ bifurcation theory to distinguish two fundamentally different descriptions of the interaction between turbulence levels and sheared flows. The analytic bifurcation analysis characterises the parameter space structure of the transition dynamics. Herewith, in these models three dynamically different types of transitions are characterised, sharp transitions, oscillatory transitions, and smooth transitions. One of the two models has a very robust transition structure and is therefore likely to be more accurate for such a robust phenomenon as the L-H transition. The other model needs more fine-tuning to get non-oscillatory transitions. These conclusions from the analytic bifurcation analysis are confirmed by dedicated numerical simulations, with the newly developed code Bifurcator.

In a world where communication and information sharing are at the heart of our business, the terminology needs are most pressing. It has become imperative to identify the terms used and defined in a consensual and coherent way while preserving linguistic diversity. To streamline and strengthen the process of acquisition, representation and exploitation of scenarii of train accidents, it is necessary to harmonize and standardize the terminology used by players in the security field. The research aims to significantly improve analytical activities and operations of the various safety studies, by tracking the error in system, hardware, software and human. This paper presents the contribution of ontology to modeling scenarii for rail accidents through a knowledge model based on a generic ontology and domain ontology. After a detailed presentation of the state of the art material, this article presents the first results of the developed model.

An anisotropic two-equation model is proposed to determine turbulent heat flux in a channel flow up to the wall. The turbulent heat fluxes are given in the form of an anisotropic eddy diffusivity representation in which both the isotropic and anisotropic eddy diffusivities of heat are expressed using the temperature variance {ovr t{sup 2}}, the dissipation rate of temperature fluctuations {var_epsilon}{sub t}, and the velocity gradient. The proposed model is tested through application to an incompressible, two-dimensional, turbulent channel flow with the neglect of buoyant heat transfer. Calculated results are compared with the direct numerical simulation data. It is disclosed from the study that the proposed anisotropic {ovr t{sup 2}}-{var_epsilon}{sub t} heat transfer model predicts reasonably well the distributions of the time-averaged temperature, normal and streamwise turbulent heat fluxes, temperature variance, dissipation rates, and these near-wall budgets.

We present a systematic definition and analysis of the thermo-electric linear response in gauge/gravity systems focusing especially on models with massive gravity in the bulk and therefore momentum dissipation in the dual field theory. A precise treatment of finite counter-terms proves to be essential to yield a consistent physical picture whose hydrodynamic and beyond-hydrodynamics behaviors noticeably match with field theoretical expectations. The model furnishes a possible gauge/gravity description of the crossover from the quantum-critical to the disorder-dominated Fermi-liquid behaviors, as expected in graphene.

Heavy ion beam transport through the containment chamber plays a crucial role in all heavy ion fusion (HIF) scenarios. Here, several parameters are used to characterize the operating space for HIF beams; transport modes are assessed in relation to evolving target/accelerator requirements; results of recent relevant experiments and simulations of HIF transport are summarized; and relevant instabilities are reviewed. All transport options still exist, including (1) vacuum ballistic transport, (2) neutralized ballistic transport, and (3) channel-like transport. Presently, the European HIF program favors vacuum ballistic transport, while the US HIF program favors neutralized ballistic transport with channel-like transport as an alternate approach. Further transport research is needed to clearly guide selection of the most attractive, integrated HIF system.

randomly from distributions describing measured cross-sectional areas of brine inclusions in sea ice. At this stage, the model reflects only the most general features of brine microstructure and its evolution observed values. This finding provides evidence that the brine network becomes more disconnected with lower

e WLjDelft Hydraulics, Delft, The Netherlands Received 21 December 2005; received in revised form 21 of the Regional Oceanic Modeling System (ROMS). A one-month simulation for December 2001 has been carried out., 1984). An overview of recent sediment quality studies in SMB can be found in a special issue of Marine

in the unsaturated porous medium flow theory. The two-phase flow behavior in the anode flow channel is modeled by integrating those in the different regions is solved numerically using a home-written computer code because of its high efficiency, high energy density, low emission and simple structure [1]. However

Measuring Molecular Motor Forces In Vivo: Implications for Tug-of-War Models of Bidirectional, The University of Texas at Austin, Austin, Texas ABSTRACT Molecular motor proteins use the energy released from the force motors generate amounts to directly probing their function. We report on optical trapping

) "Contribution of Energy Efficiency to Green Growth in SouthEastern and Eastern Europe" 11.3013 Property and the Threat of Habitat in Serbia in the 19th Century" Seirinidou, Vaso (Athens) "Bavarian Visions

This report gives an overview of the work done as part of an Early Career LDRD aimed at modeling flow induced damage of materials involving chemical reactions, deformation of the porous matrix, and complex flow phenomena. The numerical formulation is motivated by a mixture theory or theory of interacting continua type approach to coupling the behavior of the fluid and the porous matrix. Results for the proposed method are presented for several engineering problems of interest including carbon dioxide sequestration, hydraulic fracturing, and energetic materials applications. This work is intended to create a general framework for flow induced damage that can be further developed in each of the particular areas addressed below. The results show both convincing proof of the methodologies potential and the need for further validation of the models developed.

: (Wolfram, 2012) We look again at the 2D set of overlapping spheres and recognize that each set of overlapping spheres has the individual pore geometry show above in Figure 3.2. By using the basic Poiseuille equation governing pressure drop through a... ............. 6 3.1 Model Example Showing Uniform, Overlapping Spheres .................................... 13 3.2 Pipe Flow Geometry Between Two Overlapping Spheres .................................... 14 3.3 Path Connecting Pipes from Sphere to Sphere...

In many cities, ambient air quality is deteriorating leading to concerns about the health of city inhabitants. In urban areas with narrow streets surrounded by clusters of tall buildings, called street canyons, air pollution from traffic emissions and other sources is difficult to disperse and may accumulate resulting in high pollutant concentrations. For various situations, including the evacuation of populated areas in the event of an accidental or deliberate release of chemical, biological and radiological agents, it is important that models should be developed that produce urban flow fields quickly. For these reasons it has become important to predict the flow field in urban street canyons. Various computational techniques have been used to calculate these flow fields, but these techniques are often computationally intensive. Most fast response models currently in use are at a disadvantage in these cases as they are unable to correlate highly heterogeneous urban structures with the diagnostic parameterizations on which they are based. In this paper, a fast and reasonably accurate computational fluid dynamics (CFD) technique that solves the Navier-Stokes equations for complex urban areas has been developed called QUIC-CFD (Q-CFD). This technique represents an intermediate balance between fast (on the order of minutes for a several block problem) and reasonably accurate solutions. The paper details the solution procedure and validates this model for various simple and complex urban geometries.

An important concern for preclosure safety analysis of a nuclear waste repository is the potential release to the environment of respirable aerosol particles. Such particles, less than 10 {mu}m in aerodynamic diameter, may have significant adverse health effects if inhaled. To assess the potential health effects of these particles, it is not sufficient to determine the mass fraction of respirable aerosol. The chemical composition of the particles is also of importance since different radionuclides may pose vastly different health hazards. Thus, models are needed to determine under normal and accident conditions the particle size and the chemical composition distributions of aerosol particles as a function of time and of position in the repository. In this work a multicomponent sectional aerosol model is used to determine the aerosol particle size and composition distributions in the repository. A range of aerosol mass releases with varying mean particle sizes and chemical compositions is used to demonstrate the sensitivities and uncertainties of the model. Decontamination factors for some locations in the repository are presented. 8 refs., 1 tab.

Water management in Proton Exchange Membrane, PEM, Fuel Cells is challenging because of the inherent conflicts between the requirements for efficient low and high power operation. Particularly at low powers, adequate water must be supplied to sufficiently humidify the membrane or protons will not move through it adequately and resistance losses will decrease the cell efficiency. At high power density operation, more water is produced at the cathode than is necessary for membrane hydration. This excess water must be removed effectively or it will accumulate in the Gas Diffusion Layers, GDLs, between the gas channels and catalysts, blocking diffusion paths for reactants to reach the catalysts and potentially flooding the electrode. As power density of the cells is increased, the challenges arising from water management are expected to become more difficult to overcome simply due to the increased rate of liquid water generation relative to fuel cell volume. Thus, effectively addressing water management based issues is a key challenge in successful application of PEMFC systems. In this project, CFDRC and our partners used a combination of experimental characterization, controlled experimental studies of important processes governing how water moves through the fuel cell materials, and detailed models and simulations to improve understanding of water management in operating hydrogen PEM fuel cells. The characterization studies provided key data that is used as inputs to all state-of-the-art models for commercially important GDL materials. Experimental studies and microscopic scale models of how water moves through the GDLs showed that the water follows preferential paths, not branching like a river, as it moves toward the surface of the material. Experimental studies and detailed models of water and airflow in fuel cells channels demonstrated that such models can be used as an effective design tool to reduce operating pressure drop in the channels and the associated costs and weight of blowers and pumps to force air and hydrogen gas through the fuel cell. Promising improvements to materials structure and surface treatments that can potentially aid in managing the distribution and removal of liquid water were developed; and improved steady-state and freeze-thaw performance was demonstrated for a fuel cell stack under the self-humidified operating conditions that are promising for stationary power generation with reduced operating costs.

Modeling of electronic transport in GaN n-i-p junctions A. Mayera) Laboratoire de Physique du) We propose a model and an algorithm for computing the transport properties of GaN n-i-p devices as cold cathodes2,3 or thermoelectric coolers.4­8 For applications as electronic emitters, the idea

Lipid-based nanodiscs (bicelles) are able to form in mixtures of long- and short-chain lipids. Initially, they are of uniform size but grow upon dilution. Previously, nanodisc growth kinetics have been studied using time-resolved small angle neutron scattering (SANS), a technique which is not well suited for probing their change in size immediately after dilution. To address this, we have used dynamic light scattering (DLS), a technique which permits the collection of useful data in a short span of time after dilution of the system. The DLS data indicate that the negatively charged lipids in nanodiscs play a significant role in disc stability and growth. Specifically, the charged lipids are most likely drawn out from the nanodiscs into solution, thereby reducing interparticle repulsion and enabling the discs to grow. We describe a population balance model, which takes into account Coulombic interactions and adequately predicts the initial growth of nanodiscs with a single parameter i.e., surface potential. The results presented here strongly support the notion that the disc coalescence rate strongly depends on nanoparticle charge density. The present system containing low-polydispersity lipid nanodiscs serves as a good model for understanding how charged discoidal micelles coalesce.

The purpose of this report is to develop and analyze the engineered barrier system (EBS) radionuclide transport abstraction model, consistent with Level I and Level II model validation, as identified in ''Technical Work Plan for: Near-Field Environment and Transport: Engineered Barrier System: Radionuclide Transport Abstraction Model Report Integration'' (BSC 2005 [DIRS 173617]). The EBS radionuclide transport abstraction (or EBS RT Abstraction) is the conceptual model used in the total system performance assessment for the license application (TSPA-LA) to determine the rate of radionuclide releases from the EBS to the unsaturated zone (UZ). The EBS RT Abstraction conceptual model consists of two main components: a flow model and a transportmodel. Both models are developed mathematically from first principles in order to show explicitly what assumptions, simplifications, and approximations are incorporated into the models used in the TSPA-LA. The flow model defines the pathways for water flow in the EBS and specifies how the flow rate is computed in each pathway. Input to this model includes the seepage flux into a drift. The seepage flux is potentially split by the drip shield, with some (or all) of the flux being diverted by the drip shield and some passing through breaches in the drip shield that might result from corrosion or seismic damage. The flux through drip shield breaches is potentially split by the waste package, with some (or all) of the flux being diverted by the waste package and some passing through waste package breaches that might result from corrosion or seismic damage. Neither the drip shield nor the waste package survives an igneous intrusion, so the flux splitting submodel is not used in the igneous scenario class. The flow model is validated in an independent model validation technical review. The drip shield and waste package flux splitting algorithms are developed and validated using experimental data. The transportmodel considers advective transport and diffusive transport from a breached waste package. Advective transport occurs when radionuclides that are dissolved or sorbed onto colloids (or both) are carried from the waste package by the portion of the seepage flux that passes through waste package breaches. Diffusive transport occurs as a result of a gradient in radionuclide concentration and may take place while advective transport is also occurring, as well as when no advective transport is occurring. Diffusive transport is addressed in detail because it is the sole means of transport when there is no flow through a waste package, which may dominate during the regulatory compliance period in the nominal and seismic scenarios. The advective transport rate, when it occurs, is generally greater than the diffusive transport rate. Colloid-facilitated advective and diffusive transport is also modeled and is presented in detail in Appendix B of this report.

Biogenic volatile organic compounds (BVOCs) are essential in atmospheric chemistry because of their chemical reactions that produce and destroy tropospheric ozone, their effects on aerosol formation and growth, and their potential influence on global warming. As one of the important BVOC groups, monoterpenes have been a focus of scientific attention in atmospheric research. Detailed regional measurements and model estimates are needed to study emission potential and the monoterpene budget on a global scale. Since the use of empirical measurements for upscaling is limited by many physical and biological factors such as genetic variation, temperature and light, water availability, seasonal changes, and environmental stresses, comprehensive inventories over larger areas are difficult to obtain.

We investigate Bayesian techniques that can be used to reconstruct field variables from partial observations. In particular, we target fields that exhibit spatial structures with a large spectrum of lengthscales. Contemporary methods typically describe the field on a grid and estimate structures which can be resolved by it. In contrast, we address the reconstruction of grid-resolved structures as well as estimation of statistical summaries of subgrid structures, which are smaller than the grid resolution. We perform this in two different ways (a) via a physical (phenomenological), parameterized subgrid model that summarizes the impact of the unresolved scales at the coarse level and (b) via multiscale finite elements, where specially designed prolongation and restriction operators establish the interscale link between the same problem defined on a coarse and fine mesh. The estimation problem is posed as a Bayesian inverse problem. Dimensionality reduction is performed by projecting the field to be inferred on a suitable orthogonal basis set, viz. the Karhunen-Loeve expansion of a multiGaussian. We first demonstrate our techniques on the reconstruction of a binary medium consisting of a matrix with embedded inclusions, which are too small to be grid-resolved. The reconstruction is performed using an adaptive Markov chain Monte Carlo method. We find that the posterior distributions of the inferred parameters are approximately Gaussian. We exploit this finding to reconstruct a permeability field with long, but narrow embedded fractures (which are too fine to be grid-resolved) using scalable ensemble Kalman filters; this also allows us to address larger grids. Ensemble Kalman filtering is then used to estimate the values of hydraulic conductivity and specific yield in a model of the High Plains Aquifer in Kansas. Strong conditioning of the spatial structure of the parameters and the non-linear aspects of the water table aquifer create difficulty for the ensemble Kalman filter. We conclude with a demonstration of the use of multiscale stochastic finite elements to reconstruct permeability fields. This method, though computationally intensive, is general and can be used for multiscale inference in cases where a subgrid model cannot be constructed.

In simulating fluid/solid-particle multiphase -flows, various methods are available. One approach is the combined Euler-Lagrange method, which simulates the fluid phase flow in the Eulerian framework and the discrete phase (particle) motion in the Lagrangian framework simultaneously. The Lagrangian approach, where particle motion is determined by the current state of the fluid phase flow, is also called the discrete phase model (DPM), in the context of numerical flow simulation. In this method, the influence of the particle motions on the fluid flow can be included (two-way interactions) but are more commonly excluded (one-way interactions, when the discrete phase concentration is dilute. The other approach is to treat the particle number concentration as a continuous species, a necessarily passive quantity determined by the fluid flow, with no influences from the particles on the fluid flow (one-way interactions only), except to the extent the discrete phase “continuum” alters the overall fluid properties, such as density. In this paper, we compare these two methods with experimental data for an indoor environmental chamber. The effects of injection particle numbers and the related boundary conditions are investigated. In the Euler-Lagrange interaction or DPM model for incompressible flow, the Eulerian continuous phase is governed by the Reynolds-averaged N-S (RANS) equations. The motions of particles are governed by Newton’s second law. The effects of particle motions are communicated to the continuous phase through a force term in the RANS equations. The second formulation is a pure Eulerian type, where only the particle-number concentration is addressed, rather than the motion of each individual particle. The fluid flow is governed by the same RANS equations without the particle force term. The particle-number concentration is simulated by a species transport equation. Comparisons among the models and with experimental and literature data are presented. Particularly, results with different numbers of released particles in the DPM will be investigated.

A three-dimensional site-scale numerical model has been developed to simulate water and gas flow, heat transfer, and radionuclide transport in the unsaturated zone of Yucca Mountain, Nevada, the American underground repository site for high level radioactive waste. The modeling approach is based on a mathematical formulation of coupled multiphase fluid and heat flow and tracer transport through porous and fractured rock. This model is intended for use in predicting current and future conditions in the unsaturated zone, so as to aid in assessing the system performance of the repository. In particular, an integrated modeling methodology is discussed for integrating a wide variety of moisture, pneumatic, thermal, and isotopic geochemical data into comprehensive modeling analyses. The reliability and accuracy of the model predictions were the subject of a comprehensive model calibration study, in which the model was calibrated against measured data, including liquid saturation, water potential, and temperature. This study indicates that the model is able to reproduce the overall system behavior at Yucca Mountain with respect to moisture profiles, pneumatic pressure and chloride concentration variations in different geological units, and ambient geothermal conditions.

Abstract The International Monitoring System (IMS) of the Comprehensive-Nuclear-Test-Ban-Treaty monitors the atmosphere for radioactive xenon leaking from underground nuclear explosions. Emissions from medical isotope production represent a challenging background signal when determining whether measured radioxenon in the atmosphere is associated with a nuclear explosion prohibited by the treaty. The Australian Nuclear Science and Technology Organisation (ANSTO) operates a reactor and medical isotope production facility in Lucas Heights, Australia. This study uses two years of release data from the ANSTO medical isotope production facility and Xe-133 data from three IMS sampling locations to estimate the annual releases of Xe-133 from medical isotope production facilities in Argentina, South Africa, and Indonesia. Atmospheric dilution factors derived from a global atmospheric transportmodel were used in an optimization scheme to estimate annual release values by facility. The annual releases of about 6.8×1014 Bq from the ANSTO medical isotope production facility are in good agreement with the sampled concentrations at these three IMS sampling locations. Annual release estimates for the facility in South Africa vary from 1.2×1016 to 2.5×1016 Bq and estimates for the facility in Indonesia vary from 6.1×1013 to 3.6×1014 Bq. Although some releases from the facility in Argentina may reach these IMS sampling locations, the solution to the objective function is insensitive to the magnitude of those releases.

We analyze theoretically the effects of excluded-volume interactions between motors on the dynamics of a cargo driven by multiple motors. The model considered shares many commons with other recently proposed in the literature, with the addition of direct interaction between motors and motor back steps. The cargo is assumed to follow a continuum Langevin dynamics, while individual motors evolve following a Monte Carlo algorithm based on experimentally accessible probabilities for discrete forward and backward jumps, and attachment and detachment rates. The links between cargo and motors are considered as non linear springs. By means of numerical simulations we compute the relevant quantities characterizing the dynamical properties of the system, and we compare the results to those for non interacting motors. We find that interactions lead to quite relevant changes in the force-velocity relation for cargo, with a considerable reduction of the stall force, and cause also a notable decrease of the run length. These effects are mainly due to traffic-like phenomena in the microtubule. The consideration of several parallel tracks for motors reduces such effects. However, we find that for realistic values of the number of motors and the number of tracks, the influence of interactions on the global parameters of transport of cargo are far from being negligible. Our studies provide also an analysis of the relevance of motor back steps on the modeling, and of the influence of different assumptions for the detachment rates. In particular, we discuss these two aspects in connection with the possibility of observing processive back motion of cargo at large load forces.

Energy and particle transport rates are decoupled in the H-mode edge since the ion thermal transport rate is primarily set by the neoclassical transport of the deuterium ions in the tail of the thermal energy distribution, while the net particle transport rate is set by anomalous transport of the colder bulk ions. Ion orbit loss drives the energy distributions away from Maxwellian, and describes the anisotropy, poloidal asymmetry and local minimum near the separatrix observed in the Ti profile. Non-Maxwellian distributions also drive large intrinsic edge flows, and the interaction of turbulence at the top of the pedestal with the intrinsic edge flow can generate an intrinsic core torque. The primary driver of the radial electric field (Er) in the pedestal and scrapeoff layer (SOL) are kinetic neoclassical effects, such as ion orbit loss of tail ions and parallel electron loss to the divertor. This paper describes the first multi-species kinetic neoclassical transport calculations for ELM-free H-mode pedestal and scrape-off layer on DIII-D using XGC0, a 5D full-f particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. Quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles is achieved by adding random-walk particle diffusion to the guiding-center drift motion. This interpretative technique quantifies the role of neoclassical, anomalous and neutral transport to the overall pedestal structure, and consequently illustrates the importance of including kinetic effects self-consistently in transport calculations around transport barriers.

A model of the long range transport of primary and secondary pollutants derived by Fay and Rosenzweig (1) is applied to the problem of the transport of acid rain precursors. The model describes the long term average (annual ...

Specifications are given which are necessary to develop a three-dimensional numerical model capable of simulating regional mass transport of radionuclides from a deep waste repository. The model to be developed will include all of the significant mass transport processes including flow, chemical, and thermal advection, mechanical dispersion, molecular diffusion, ion exchange reactions, and radioactive decay. The model specifications also include that density and viscosity fluid properties be functions of pressure, temperature, and concentration and take into account fluid and geologic heterogenieties by allowing possible assignment of individual values to every block of the model. The model specifications furthermore include the repository shape, input/output information, boundary conditions, and the need for documentation and a user's manual. Model code validation can be accomplished with the included known analytical or laboratory solutions. It is recommended that an existing finite-difference model (developed by INTERCOMP and INTERA, Inc.) be used as a starting point either as an acceptable basic code for modification or as a pattern for the development of a completely different numerical scheme. A ten-step plan is given to outline the general procedure for development of the code.

water. Ground water transportmodels can be used to predict the transport of viruses. However, if current public domain virus transportmodels are to be used for this purpose, they need to be verified under operating field conditions. To evaluate...

Engine oil consumption is one of the primary interests for the automotive industry in controlling emissions and reducing service cost. Due to a lack of understanding of the mechanisms of oil transport along the piston, ...

In this article we focus on the physical, chemical, and biological processes involved in the transport of bacteria in the saturated subsurface. We will first review conceptual models of bacterial phases in the subsurface, and then the processes controlling fate and transport on short (e.g., bioremediation) time scales. Finally we briefly review field bacterial transport experiments and discuss a number of issues that impact the application of current process descriptions and models at the field scale.

Under current U.S. Nuclear Regulatory Commission regulation, it is not sufficient for used nuclear fuel (UNF) to simply maintain its integrity during the storage period, it must maintain its integrity in such a way that it can withstand the physical forces of handling and transportation associated with restaging the fuel and moving it to treatment or recycling facilities, or a geologic repository. Hence it is necessary to understand the performance characteristics of aged UNF cladding and ancillary components under loadings stemming from transport initiatives. Researchers would like to demonstrate that enough information, including experimental support and modeling and simulation capabilities, exists to establish a preliminary determination of UNF structural performance under normal conditions of transport (NCT). This research, development and demonstration (RD&D) plan describes a methodology, including development and use of analytical models, to evaluate loading and associated mechanical responses of UNF rods and key structural components. This methodology will be used to provide a preliminary assessment of the performance characteristics of UNF cladding and ancillary components under rail-related NCT loading. The methodology couples modeling and simulation and experimental efforts currently under way within the Used Fuel Disposition Campaign (UFDC). The methodology will involve limited uncertainty quantification in the form of sensitivity evaluations focused around available fuel and ancillary fuel structure properties exclusively. The work includes collecting information via literature review, soliciting input/guidance from subject matter experts, performing computational analyses, planning experimental measurement and possible execution (depending on timing), and preparing a variety of supporting documents that will feed into and provide the basis for future initiatives. The methodology demonstration will focus on structural performance evaluation of Westinghouse WE 17×17 pressurized water reactor fuel assemblies with a discharge burnup range of 30-58 GWd/MTU (assembly average), loaded in a representative high-capacity (?32 fuel rod assemblies) transportation package. Evaluations will be performed for representative normal conditions of rail transport involving a rail conveyance capable of meeting the Association of American Railroads (AAR) S-2043 specification. UNF modeling is anticipated to be defined to the pellet-cladding level and take in to account influences associated with spacer grids, intermediate fluid mixers, and control components. The influence of common degradation issues such as ductile-to-brittle-transition will also be accounted for. All model development and analysis will be performed with commercially available software packages exclusively. Inputs and analyses will be completely documented, all supporting information will be traceable, and bases will be defendable so as to be most useful to the U.S. Department of Energy community and mission. The expected completion date is the end of fiscal year (FY) 2013.

The Technical Area 54 (TA-54) Area G disposal facility is used for the disposal of radioactive waste at Los Alamos National Laboratory (LANL). U.S. Department of Energy (DOE) Order 435.1 (DOE, 2001) requires that radioactive waste be managed in a manner that protects public health and safety and the environment. In compliance with that requirement, DOE field sites must prepare and maintain site-specific radiological performance assessments for facilities that receive waste after September 26, 1988. Sites are also required to conduct composite analyses for facilities that receive waste after this date; these analyses account for the cumulative impacts of all waste that has been (and will be) disposed of at the facilities and other sources of radioactive material that may interact with these facilities. LANL issued Revision 4 of the Area G performance assessment and composite analysis in 2008. In support of those analyses, vertical and horizontal sediment flux data were collected at two analog sites, each with different dominant vegetation characteristics, and used to estimate rates of vertical resuspension and wind erosion for Area G. The results of that investigation indicated that there was no net loss of soil at the disposal site due to wind erosion, and suggested minimal impacts of wind on the long-term performance of the facility. However, that study did not evaluate the potential for contaminant transport caused by the horizontal movement of soil particles over long time frames. Since that time, additional field data have been collected to estimate wind threshold velocities for initiating sediment transport due to saltation and rates of sediment transport once those thresholds are reached. Data such as these have been used in the development of the Vegetation Modified Transport (VMTran) model. This model is designed to estimate patterns and long-term rates of contaminant redistribution caused by winds at the site, taking into account the impacts of plant succession and environmental disturbance. Aeolian, or wind-driven, sediment transport drives soil erosion, affects biogeochemical cycles, and can lead to the transport of contaminants. Rates of aeolian sediment transport depend in large part on the type, amount, and spatial pattern of vegetation. In particular, the amount of cover from trees and shrubs, which act as roughness elements, alters rates of aeolian sediment transport. The degree to which the understory is disturbed and the associated spacing of bare soil gaps further influence sediment transport rates. Changes in vegetation structure and patterns over periods of years to centuries may have profound impacts on rates of wind-driven transport. For recently disturbed areas, succession is likely to occur through a series of vegetation communities. Area G currently exhibits a mosaic of vegetation cover, with patches of grass and forbs over closed disposal units, and bare ground in heavily used portions of the site. These areas are surrounded by less disturbed regions of shrubland and pinon-juniper woodland; some ponderosa pine forest is also visible in the canyon along the road. The successional trajectory for the disturbed portions of Area G is expected to proceed from grasses and forbs (which would be established during site closure), to shrubs such as chamisa, to a climax community of pinon-juniper woodland. Although unlikely under current conditions, a ponderosa pine forest could develop over the site if the future climate is wetter. In many ecosystems, substantial and often periodic disturbances such as fire or severe drought can rapidly alter vegetation patterns. Such disturbances are likely to increase in the southwestern US where projections call for a warmer and drier climate. With respect to Area G, the 3 most likely disturbance types are surface fire, crown fire, and drought-induced tree mortality. Each type of disturbance has a different frequency or likelihood of occurrence, but all 3 tend to reset the vegetation succession cycle to earlier stages. The Area G performance assessment and composite an

Methyl tert-butyl ether (MTBE) has received high attention as it contributed to cleaner air and contaminated thousands of underground storage tank sites. Because MTBE is very water soluble, it is more difficult to remove from water by conventional remediation techniques. Therefore, biodegradation of MTBE has become a remediation alternative. In order to understand the transport and transformation processes, they present a closed form solution as a screening tool in this paper. The possible reaction pathways of first-order reactions are described as a reaction matrix. The singular value decomposition is conducted analytically to decouple the partial differential equations of the multi-species transport system coupled by the reaction matrix into multiple independent subsystems. Therefore, the complexity of mathematical description for the reactive transport system is significantly reduced and analytical solutions may be previously available or easily derived.

A controlled field pilot has been developed in Bozeman, Montana, USA, to study near surface CO2 transport and detection technologies. A slotted horizontal well divided into six zones was installed in the shallow subsurface. The scale and CO2 release rates were chosen to be relevant to developing monitoring strategies for geological carbon storage. The field site was characterized before injection, and CO2 transport and concentrations in saturated soil and the vadose zone were modeled. Controlled releases of CO2 from the horizontal well were performed in the summers of 2007 and 2008, and collaborators from six national labs, three universities, and the U.S. Geological Survey investigated movement of CO2 through the soil, water, plants, and air with a wide range of near surface detection techniques. An overview of these results will be presented.

Systems of multicomponent reactive transport in porous media that are large, highly nonlinear, and tightly coupled due to complex nonlinear reactions and strong solution-media interactions are often described by a system of coupled nonlinear partial differential algebraic equations (PDAEs). A preconditioned Jacobian-Free Newton-Krylov (JFNK) solution approach is applied to solve the PDAEs in a fully coupled, fully implicit manner. The advantage of the JFNK method is that it avoids explicitly computing and storing the Jacobian matrix during Newton nonlinear iterations for computational efficiency considerations. This solution approach is also enhanced by physics-based blocking preconditioning and multigrid algorithm for efficient inversion of preconditioners. Based on the solution approach, we have developed a reactive transport simulator named RAT. Numerical results are presented to demonstrate the efficiency and massive scalability of the simulator for reactive transport problems involving strong solution-mineral interactions and fast kinetics. It has been applied to study the highly nonlinearly coupled reactive transport system of a promising in situ environmental remediation that involves urea hydrolysis and calcium carbonate precipitation.

, not only under the channels but also under the ribs of the flow fields. Furthermore, the GDL has to provide side. Their function is to enable almost homogeneous mass transport between the channels and the MEA channels. Lee et al. [5] studied the effects of compression and GDLs on the performance of a PEFC. The non

Purpose: The authors describe the modification to a previously developed Monte Carlo model of semiconductor direct x-ray detector required for studying the effect of burst and recombination algorithms on detector performance. This work provides insight into the effect of different charge generation models for a-Se detectors on Swank noise and recombination fraction. Methods: The proposed burst and recombination models are implemented in the Monte Carlo simulation package, ARTEMIS, developed byFang et al. [“Spatiotemporal Monte Carlo transport methods in x-ray semiconductor detectors: Application to pulse-height spectroscopy in a-Se,” Med. Phys. 39(1), 308–319 (2012)]. The burst model generates a cloud of electron-hole pairs based on electron velocity, energy deposition, and material parameters distributed within a spherical uniform volume (SUV) or on a spherical surface area (SSA). A simple first-hit (FH) and a more detailed but computationally expensive nearest-neighbor (NN) recombination algorithms are also described and compared. Results: Simulated recombination fractions for a single electron-hole pair show good agreement with Onsager model for a wide range of electric field, thermalization distance, and temperature. The recombination fraction and Swank noise exhibit a dependence on the burst model for generation of many electron-hole pairs from a single x ray. The Swank noise decreased for the SSA compared to the SUV model at 4 V/?m, while the recombination fraction decreased for SSA compared to the SUV model at 30 V/?m. The NN and FH recombination results were comparable. Conclusions: Results obtained with the ARTEMIS Monte Carlo transportmodel incorporating drift and diffusion are validated with the Onsager model for a single electron-hole pair as a function of electric field, thermalization distance, and temperature. For x-ray interactions, the authors demonstrate that the choice of burst model can affect the simulation results for the generation of many electron-hole pairs. The SSA model is more sensitive to the effect of electric field compared to the SUV model and that the NN and FH recombination algorithms did not significantly affect simulation results.

Within a multi-phase transport (AMPT) model, dijet asymmetry is studied in Pb+Pb collisions at $\\sqrt{s_{_{\\rm NN}}}$ = 2.76 TeV. It is found that a large dijet asymmetry ($A_{J}$) is produced by strong interactions between jets and partonic matter. It is demonstrated that hadronization and final-state hadronic rescatterings have little effects on $A_{J}$. The final $A_{J}$ is found to be driven by both initial $A_{J}$ and partonic jet energy loss, which is consistent with an increasing jet energy loss in a hot and strongly interacting partonic medium in more central Pb+Pb collisions.

This document summarizes previous descriptions of geochemical system conceptual models for the vadose zone and groundwater zone (aquifer) beneath the Idaho National Engineering and Environmental Laboratory (INEEL). The primary focus is on groundwater because contaminants derived from wastes disposed at INEEL are present in groundwater, groundwater provides a pathway for potential migration to receptors, and because geochemical characteristics in and processes in the aquifer can substantially affect the movement, attenuation, and toxicity of contaminants. The secondary emphasis is perched water bodies in the vadose zone. Perched water eventually reaches the regional groundwater system, and thus processes that affect contaminants in the perched water bodies are important relative to the migration of contaminants into groundwater. Similarly, processes that affect solutes during transport from nearsurface disposal facilities downward through the vadose zone to the aquifer are relevant. Sediments in the vadose zone can affect both water and solute transport by restricting the downward migration of water sufficiently that a perched water body forms, and by retarding solute migration via ion exchange. Geochemical conceptual models have been prepared by a variety of researchers for different purposes. They have been published in documents prepared by INEEL contractors, the United States Geological Survey (USGS), academic researchers, and others. The documents themselves are INEEL and USGS reports, and articles in technical journals. The documents reviewed were selected from citation lists generated by searching the INEEL Technical Library, the INEEL Environmental Restoration Optical Imaging System, and the ISI Web of Science databases. The citation lists were generated using the keywords ground water, groundwater, chemistry, geochemistry, contaminant, INEL, INEEL, and Idaho. In addition, a list of USGS documents that pertain to the INEEL was obtained and manually searched. The documents that appeared to be the most pertinent were selected from further review. These documents are tabulated in the citation list. This report summarizes existing geochemical conceptual models, but does not attempt to generate a new conceptual model or select the ''right'' model. This document is organized as follows. Geochemical models are described in general in Section 2. Geochemical processes that control the transport and fate of contaminants introduced into groundwater are described in Section 3. The natural geochemistry of the Eastern Snake River Plain Aquifer (SRPA) is described in Section 4. The effect of waste disposal on the INEEL subsurface is described in Section 5. The geochemical behavior of the major contaminants is described in Section 6. Section 7 describes the site-specific geochemical models developed for various INEEL facilities.

Computational analysis of coupled plasma and neutral transport in the Scrape-Off Layer (SOL) region of the Steady-State Superconducting Tokamak (SST-1) is done using SOLPS for Phase-I of double-null divertor plasma operations. An optimum set of plasma parameters is explored computationally for the first phase operations with the central objective of achieving an effective control over particle and power exhaust. While the transport of plasma species is treated using a fluid model in the B2.5 code, a full kinetic description is provided by the EIRENE code for the neutral particle transport in a realistic geometry. Cases with and without external gas puffing are analyzed for finding regimes where an effective control of plasma operations can be exercised by controlling the SOL plasma conditions over a range of heating powers. In the desired parameter range, a reasonable neutral penetration across the SOL is observed, capable of causing a variation of up to 15% of the total input power, in the power deposited on the divertors. Our computational characterization of the SOL plasma with input power 1 MW and lower hybrid current drive, for the separatrix density up to 10{sup 19}?m{sup ?3}, indicates that there will be access to high recycling operations producing reduction in the temperature and the peak heat flux at the divertor targets. This indicates that a control of the core plasma density and temperature would be achievable. A power balance analysis done using the kinetic neutral transport code EIRENE indicates about 60%-75% of the total power diverted to the targets, providing quantitative estimates for the relative power loading of the targets and the rest of the plasma facing components.

The soil transport coefficient D represents the relationship between local topographical gradient and soil flux in the landscape evolution model. This work presents new estimates of the soil transport coefficient D at 9 ...

A state-of-the-art, high-resolution ocean general circulation model is used to estimate the time-dependent global ocean heat transport and investigate its dynamics. The north-south heat transport is the prime manifestation ...

-averaged, unsteady particle transport were developed to approximate the size-dependent particle transport processes, which included advection, dispersion, and settling. Coupled exchange of discrete particles between the water column and sediment bed was modeled using...

Purpose: To compare TG43-based and Acuros deterministic radiation transport-based calculations of the BrachyVision treatment planning system (TPS) with corresponding Monte Carlo (MC) simulation results in heterogeneous patient geometries, in order to validate Acuros and quantify the accuracy improvement it marks relative to TG43. Methods: Dosimetric comparisons in the form of isodose lines, percentage dose difference maps, and dose volume histogram results were performed for two voxelized mathematical models resembling an esophageal and a breast brachytherapy patient, as well as an actual breast brachytherapy patient model. The mathematical models were converted to digital imaging and communications in medicine (DICOM) image series for input to the TPS. The MCNP5 v.1.40 general-purpose simulation code input files for each model were prepared using information derived from the corresponding DICOM RT exports from the TPS. Results: Comparisons of MC and TG43 results in all models showed significant differences, as reported previously in the literature and expected from the inability of the TG43 based algorithm to account for heterogeneities and model specific scatter conditions. A close agreement was observed between MC and Acuros results in all models except for a limited number of points that lay in the penumbra of perfectly shaped structures in the esophageal model, or at distances very close to the catheters in all models. Conclusions: Acuros marks a significant dosimetry improvement relative to TG43. The assessment of the clinical significance of this accuracy improvement requires further work. Mathematical patient equivalent models and models prepared from actual patient CT series are useful complementary tools in the methodology outlined in this series of works for the benchmarking of any advanced dose calculation algorithm beyond TG43.

electrifyingthefuture transportation The UK Government's carbon reduction strategy vehicles and the new Birmingham Science City Energy Systems Integration Laboratory (ESIL) will further enhance this work. The laboratory - unique within the UK and world leading - brings together cutting edge

To characterize the extent of contamination under the 324 Building, a pit was excavated on the north side of the building in 2010 by Washington Closure Hanford LLC (WCH). Horizontal closed-end steel access pipes were installed under the foundation of the building from this pit and were used for measuring temperatures and exposure rates under the B-Cell. The deployed sensors measured elevated temperatures of up to 61 C (142 F) and exposure rates of up to 8,900 R/hr. WCH suspended deactivation of the facility because it recognized that building safety systems and additional characterization data might be needed for remediation of the contaminated material. The characterization work included additional field sampling, laboratory measurements, and numerical flow and transportmodeling. Laboratory measurements of sediment physical, hydraulic, and geochemical properties were performed by Pacific Northwest National Laboratory (PNNL) and others. Geochemical modeling and subsurface flow and transportmodeling also were performed by PNNL to evaluate the possible extent of contamination in the unsaturated sand and gravel sediments underlying the building. Historical records suggest that the concentrated 137Cs- and 90Sr-bearing liquid wastes that were spilled in B-Cell were likely from a glass-waste repository testing program associated with the Federal Republic of Germany (FRG). Incomplete estimates of the aqueous chemical composition (no anion data provided) of the FRG waste solutions were entered into a geochemical speciation model and were charge balanced with nitrate to estimate waste composition. Additional geochemical modeling was performed to evaluate reactions of the waste stream with the concrete foundation of the building prior to the stream entering the subsurface.

Page 3-1 Schematic heat transfer model of pavement .............................................. 49 3-2 Comparison of sinusoidal model calculation with measured air temperature profile... are unavailable, data can be predicted using models. Several models for this purpose had been presented in literature ( 10~13). One method ( 10) uses a heat transfer model with a surface periodic temperature boundary condition assuming that daily and annual...

Recent advances in microbiology have enabled the quantitative simulation of microbial metabolism and growth based on genome-scale characterization of metabolic pathways and fluxes. We have incorporated a genome-scale metabolic model of the iron-reducing bacteria Geobacter sulfurreducens into a pore-scale simulation of microbial growth based on coupling of iron reduction to oxidation of a soluble electron donor (acetate). In our model, fluid flow and solute transport is governed by a combination of the Navier-Stokes and advection-diffusion-reaction equations. Microbial growth occurs only on the surface of soil grains where solid-phase mineral iron oxides are available. Mass fluxes of chemical species associated with microbial growth are described by the genome-scale microbial model, implemented using a constraint-based metabolic model, and provide the Robin-type boundary condition for the advection-diffusion equation at soil grain surfaces. Conventional models of microbially-mediated subsurface reactions use a lumped reaction model that does not consider individual microbial reaction pathways, and describe reactions rates using empirically-derived rate formulations such as the Monod-type kinetics. We have used our pore-scale model to explore the relationship between genome-scale metabolic models and Monod-type formulations, and to assess the manifestation of pore-scale variability (microenvironments) in terms of apparent Darcy-scale microbial reaction rates. The genome-scale model predicted lower biomass yield, and different stoichiometry for iron consumption, in comparisonto prior Monod formulations based on energetics considerations. We were able to fit an equivalent Monod model, by modifying the reaction stoichiometry and biomass yield coefficient, that could effectively match results of the genome-scale simulation of microbial behaviors under excess nutrient conditions, but predictions of the fitted Monod model deviated from those of the genome-scale model under conditions in which one or more nutrients were limiting. The fitted Monod kinetic model was also applied at the Darcy scale; that is, to simulate average reaction processes at the scale of the entire pore-scale model domain. As we expected, even under excess nutrient conditions for which the Monod and genome-scale models predicted equal reaction rates at the pore scale, the Monod model over-predicted the rates of biomass growth and iron and acetate utilization when applied at the Darcy scale. This discrepancy is caused by an inherent assumption of perfect mixing over the Darcy-scale domain, which is clearly violated in the pore-scale models. These results help to explain the need to modify the flux constraint parameters in order to match observations in previous applications of the genome-scale model at larger scales. These results also motivate further investigation of quantitative multi-scale relationships between fundamental behavior at the pore scale (where genome-scale models are appropriately applied) and observed behavior at larger scales (where predictions of reactive transport phenomena are needed).

to attract businesses and jobs to Texas, as the state has become increasingly dependent on the efficient will continue to be an important part of the 21st century transportationmodel, more efficient use of available and innovation; and Â· Serve as an independent resource to the Texas Legislature, providing analyses of the state

Classical risk-based or game-theoretic security models rely on assumptions from reliability theory and rational expectations economics that are not applicable to security threats. Additionally, these models suffer from ...

A laboratory-derived conceptual and numerical model for U(VI) transport at the Hanford 300A site, Washington, USA, was applied to a range of field-scale scenarios of different complexity to systematically evaluate model parameter sensitivities. The model, originally developed from column experiment data, included distributed-rate surface complexation kinetics of U(VI), aqueous speciation, and physical non-equilibrium transport processes. A rigorous parameter sensitivity analysis was carried out with respect to different state variables: concentrations, mass fluxes, total mass and spatial moments of dissolved U(VI) for laboratory systems, and various simulation scenarios that represented the field-scale characteristics at the Hanford 300A site. The field-scenarios accounted for transient groundwater flow and variable geochemical conditions driven by frequent water level changes of the nearby Columbia River. Simulations indicated that the transient conditions significantly affected U(VI) plume migration at the site. The parameter sensitivities were largely similar between the laboratory and field scale systems. Where differences existed, they were shown to result from differing degrees of U(VI) adsorption disequilibrium caused by hydraulic or hydrogeochemical conditions. Adorption disequilibrium was found to differ (i) between short duration peak flow events at the field scale and much longer flow events in the laboratory, (ii) for changing groundwater chemical compositions due to river water intrusion, and (iii) for different sampling locations at the field scale. Parameter sensitivities were also found to vary with respect to the different investigated state variables. An approach is demonstrated that elucidates the most important parameters of a laboratory-scale model that must constrained in both the laboratory and field for meaningful field application.

A facility has been constructed to perform controlled shallow releases of CO2 at flow rates that challenge near surface detection techniques and can be scalable to desired retention rates of large scale CO2 storage projects. Preinjection measurements were made to determine background conditions and characterize natural variability at the site. Modeling of CO2 transport and concentration in saturated soil and the vadose zone was also performed to inform decisions about CO2 release rates and sampling strategies. Four releases of CO2 were carried out over the summer field seasons of 2007 and 2008. Transport of CO2 through soil, water, plants, and air was studied using near surface detection techniques. Soil CO2 flux, soil gas concentration, total carbon in soil, water chemistry, plant health, net CO2 flux, atmospheric CO2 concentration, movement of tracers, and stable isotope ratios were among the quantities measured. Even at relatively low fluxes, most techniques were able to detect elevated levels of CO2 in the soil, atmosphere, or water. Plant stress induced by CO2 was detectable above natural seasonal variations.

be to lower expectations. Introduction The practice of numerical modeling of groundwater flow and transport, applica- tion of groundwater models is dominated by the use of widely accepted, generic, public transport problems to apply a solute-transportmodel to a field problem. Modeling groundwater flow (and head

diffusion induced by currents, waves and wave breaking. The model uses a quadtree rectangular mesh. However, because of the dynamic nature of currents and waves on the coast, neither bed load nor suspended with the spectral wave transformation model called CMS-Wave, which solves the steady-state wave-action balance